Metabolite 4,6-dihydroxy-N,1-dimethyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide

Name

4,6-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

TXDLBIHXLIOKOO-UHFFFAOYSA-N

InChI

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

IUPAC Name

4,6-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(O)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	splash10-014i-0090000000-ae0c5a41c8c9cc6db359
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01b9-0097000000-5e4f6283d60d6216d06c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0190000000-9ae901bb083f585f102e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0gbc-0790000000-c5002f9e6aaaebb7030a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00dl-0930000000-acb02f09c0d6c1c925ba
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0wb9-5960000000-53d2ba83d973b95f3938

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	178.13655	predicted	DeepCCS 1.0 (2019)
[M+H]+	179.78975	predicted	DeepCCS 1.0 (2019)
[M+Na]+	185.9466	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties