Metabolite Zolpidem carboxylic acid derivative (M1)

Name

Zolpidem carboxylic acid derivative (M1)

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

OGV9R9660K

CAS number

Not Available

Weight

Average: 337.3725
Monoisotopic: 337.142641489

Chemical Formula

C₁₉H₁₉N₃O₃

InChI Key

FELZONDEFBLTSP-UHFFFAOYSA-N

InChI

InChI=1S/C19H19N3O3/c1-12-4-9-16-20-18(13-5-7-14(8-6-13)19(24)25)15(22(16)11-12)10-17(23)21(2)3/h4-9,11H,10H2,1-3H3,(H,24,25)

IUPAC Name

4-{3-[(dimethylcarbamoyl)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl}benzoic acid

SMILES

CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C=C1)C(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0079-0009000000-1fb424ff714c07bbcb6a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000j-0097000000-95761ccbc73dbe7258a8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0091000000-09aefb252aaac37bb334
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0029000000-834cafeb304642175d2f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-052b-0090000000-013c28ed5a9ac0c36c00
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-002b-0090000000-cf38fffdd3286c863cdf

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	200.8341617	predicted	DarkChem Lite v0.1.0
[M-H]-	177.53517	predicted	DeepCCS 1.0 (2019)
[M+H]+	201.2621617	predicted	DarkChem Lite v0.1.0
[M+H]+	179.89317	predicted	DeepCCS 1.0 (2019)
[M+Na]+	200.7864617	predicted	DarkChem Lite v0.1.0
[M+Na]+	186.72588	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties