Metabolite 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxo-1,2-dihydroquinoline-3-carboxamide

Name

4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxo-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

JWKWHXCWAUZAOS-UHFFFAOYSA-N

InChI

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

IUPAC Name

4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxo-1,2-dihydroquinoline-3-carboxamide

SMILES

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

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0091000000-a12baa7280b493678051
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fk9-0389000000-4548265ad37d9644982f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0090000000-0efa34a71733e1962213
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0790000000-f38f44f22751ab63dc14
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0zfr-0930000000-6c6ca40e54f8725a84e1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kf-9200000000-bf0ea134ff0f1e6d0269

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	175.96124	predicted	DeepCCS 1.0 (2019)
[M+H]+	177.78612	predicted	DeepCCS 1.0 (2019)
[M+Na]+	183.39195	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties