Metabolite N1-methyl-2-pyridone-5-carboxamide

Name

N1-methyl-2-pyridone-5-carboxamide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

68139USC7W

CAS number

Not Available

Weight

Average: 152.1506
Monoisotopic: 152.05857751

Chemical Formula

C₇H₈N₂O₂

InChI Key

JLQSXXWTCJPCBC-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)

IUPAC Name

1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide

SMILES

CN1C=C(C=CC1=O)C(N)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0zg0-4900000000-83295d8ad70d3d55646e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-1900000000-eafecc4c8eda1475d677
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0pb9-0900000000-768080b3d024c3f55357
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-3900000000-fb9d43680b828c4f7aeb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-052r-1900000000-7967900452e03180c093
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-3ca19ec0b149d710cd8f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ue9-9000000000-164aa43bbb3046748c3c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	133.0171933	predicted	DarkChem Lite v0.1.0
[M-H]-	133.1014933	predicted	DarkChem Lite v0.1.0
[M-H]-	133.2966933	predicted	DarkChem Lite v0.1.0
[M-H]-	133.0731933	predicted	DarkChem Lite v0.1.0
[M-H]-	136.201	predicted	DeepCCS 1.0 (2019)
[M+H]+	133.9884933	predicted	DarkChem Lite v0.1.0
[M+H]+	134.8915926	predicted	DarkChem Standard v0.1.0
[M+H]+	133.9547933	predicted	DarkChem Lite v0.1.0
[M+H]+	134.2556933	predicted	DarkChem Lite v0.1.0
[M+H]+	138.44185	predicted	DeepCCS 1.0 (2019)
[M+Na]+	133.6460933	predicted	DarkChem Lite v0.1.0
[M+Na]+	133.4506933	predicted	DarkChem Lite v0.1.0
[M+Na]+	133.5077933	predicted	DarkChem Lite v0.1.0
[M+Na]+	133.7917933	predicted	DarkChem Lite v0.1.0
[M+Na]+	147.25304	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties