Metabolite N1-methyl-4-pyridone-5-carboxamide

Name

N1-methyl-4-pyridone-5-carboxamide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

VE4S15CI8D

CAS number

Not Available

Weight

Average: 152.1506
Monoisotopic: 152.05857751

Chemical Formula

C₇H₈N₂O₂

InChI Key

KTLRWTOPTKGYQY-UHFFFAOYSA-N

InChI

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

IUPAC Name

1-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide

SMILES

CN1C=CC(=O)C(=C1)C(N)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0zg0-4900000000-20331ed897c9e0a9fc31
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-052r-0900000000-aa32021a8562371d4028
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0zfr-0900000000-9338713bfb974dcda786
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-1900000000-4cdb56e807eadfb9b6e2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0bu0-2900000000-b5e04c8144d32ca0cdbc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-9100000000-ffb454f8cc93fccd9ef4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a5a-9200000000-3d839da034e6eff781d6

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	132.4176933	predicted	DarkChem Lite v0.1.0
[M-H]-	132.5811933	predicted	DarkChem Lite v0.1.0
[M-H]-	132.5120933	predicted	DarkChem Lite v0.1.0
[M-H]-	129.83334	predicted	DeepCCS 1.0 (2019)
[M+H]+	133.5199933	predicted	DarkChem Lite v0.1.0
[M+H]+	133.2764933	predicted	DarkChem Lite v0.1.0
[M+H]+	133.4706933	predicted	DarkChem Lite v0.1.0
[M+H]+	131.97308	predicted	DeepCCS 1.0 (2019)
[M+Na]+	132.7342933	predicted	DarkChem Lite v0.1.0
[M+Na]+	132.5878933	predicted	DarkChem Lite v0.1.0
[M+Na]+	132.8448933	predicted	DarkChem Lite v0.1.0
[M+Na]+	140.29076	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties