Metabolite 4,8-dihydroxy-N,1-dimethyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide

Name

4,8-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

AHXNUHLQDWODQB-UHFFFAOYSA-N

InChI

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

IUPAC Name

4,8-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([H])=C2O)C([H])([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-2adaaaa38eb9fc4093b5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00xr-0079000000-a935ff6290dd02a8a82f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-653666379731bbc59d41
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0gbc-0790000000-cf0403f0307d8661d9f0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0l6u-0980000000-bf6449ae64c0e12d046d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f6t-3690000000-1c388a8d188b721f9c05

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	176.84035	predicted	DeepCCS 1.0 (2019)
[M+H]+	178.49355	predicted	DeepCCS 1.0 (2019)
[M+Na]+	184.65038	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties