Metabolite 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide

Name

5-chloro-N-ethyl-4,7-dihydroxy-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: 372.81
Monoisotopic: 372.0876847

Chemical Formula

C₁₉H₁₇ClN₂O₄

InChI Key

JQKWEWTUEMBDKZ-UHFFFAOYSA-N

InChI

InChI=1S/C19H17ClN2O4/c1-3-22(11-7-5-4-6-8-11)19(26)16-17(24)15-13(20)9-12(23)10-14(15)21(2)18(16)25/h4-10,23-24H,3H2,1-2H3

IUPAC Name

5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-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])C([H])([H])[H])C(=O)N(C2=C1C(Cl)=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	splash10-00di-0039000000-42a96bd34abb7070a574
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0039000000-331894d4693e172ff2f5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0925000000-1237edfb707df77af498
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0uk9-1395000000-721f718b7b8f4168c683
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0g4i-0893000000-d3e7abda13f04baed56c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-4914000000-b46a5496025436f591ad

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	182.38449	predicted	DeepCCS 1.0 (2019)
[M+H]+	184.1082	predicted	DeepCCS 1.0 (2019)
[M+Na]+	190.29567	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties