Metabolite 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide

Name

5-chloro-4-hydroxy-1-methyl-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: 328.75
Monoisotopic: 328.06147

Chemical Formula

C₁₇H₁₃ClN₂O₃

InChI Key

BZKCTVZVKAXVFH-UHFFFAOYSA-N

InChI

InChI=1S/C17H13ClN2O3/c1-20-12-9-5-8-11(18)13(12)15(21)14(17(20)23)16(22)19-10-6-3-2-4-7-10/h2-9,21H,1H3,(H,19,22)

IUPAC Name

5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide

SMILES

[H]OC1=C(C(=O)NC2=C([H])C([H])=C([H])C([H])=C2[H])C(=O)N(C2=C1C(Cl)=C([H])C([H])=C2[H])C([H])([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-0f80b9f761e0d02fcf0a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0290000000-3152775e81a6c99fc910
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0091000000-759d2829561e522e4a21
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f9e-4490000000-3881ef0b12a9b7947cd3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0zi0-0149000000-aecf2539a8694c65b57e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0hfx-9114000000-5a031cd8ec622200af14

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	167.02693	predicted	DeepCCS 1.0 (2019)
[M+H]+	168.85182	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.54381	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties