Metabolite 5-chloro-N-ethyl-4,6-dihydroxy-1-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide

Name

5-chloro-N-ethyl-4,6-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

IYYNHKJIMIURLE-UHFFFAOYSA-N

InChI

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

IUPAC Name

5-chloro-N-ethyl-4,6-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(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	splash10-00di-0039000000-42a96bd34abb7070a574
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-2019000000-5138a743faf498e4e244
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0936000000-25e249ddf109cab4c25f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ukc-0196000000-86375f4e7f5a27d87bbc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0g4r-4892000000-7b0c8be58811dc4f492c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00lr-9704000000-b9e39b540009f43f5097

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	180.77135	predicted	DeepCCS 1.0 (2019)
[M+H]+	182.49506	predicted	DeepCCS 1.0 (2019)
[M+Na]+	188.73045	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties