Metabolite 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide

Name

4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 324.336
Monoisotopic: 324.111007003

Chemical Formula

C₁₈H₁₆N₂O₄

InChI Key

NPWHYPYXYXHWLK-UHFFFAOYSA-N

InChI

InChI=1S/C18H16N2O4/c1-19(11-6-4-3-5-7-11)17(23)15-16(22)13-9-8-12(21)10-14(13)20(2)18(15)24/h3-10,21-22H,1-2H3

IUPAC Name

4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide

SMILES

[H]OC1=C(C(=O)N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C(=O)N(C2=C1C([H])=C([H])C(O)=C2[H])C([H])([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-67031c2e209f205d8a43
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01b9-0195000000-a09f5e3449b28b4bdac9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-53d131ca6b7dfe6be61b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0gbc-0690000000-f088dd1d05cff7740d1b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0uk9-0890000000-de868596e54fd992b149
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ir0-3920000000-b5f3b1c55be4c715d7d6

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	170.94417	predicted	DeepCCS 1.0 (2019)
[M+H]+	172.59737	predicted	DeepCCS 1.0 (2019)
[M+Na]+	178.7542	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties