Metabolite Methoxyzolpidem derivative (M3)

Name

Methoxyzolpidem derivative (M3)

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

8752TT8SS0

CAS number

Not Available

Weight

Average: 323.3889
Monoisotopic: 323.163376931

Chemical Formula

C₁₉H₂₁N₃O₂

InChI Key

MKLBTYQCCMFWQI-UHFFFAOYSA-N

InChI

InChI=1S/C19H21N3O2/c1-13-4-9-17-20-19(15-7-5-14(12-23)6-8-15)16(22(17)11-13)10-18(24)21(2)3/h4-9,11,23H,10,12H2,1-3H3

IUPAC Name

2-{2-[4-(hydroxymethyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl}-N,N-dimethylacetamide

SMILES

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

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0029000000-2357b3799c71b020ee09
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00fs-0094000000-c9d32e9e9da2d55a448e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05fr-1049000000-66ec83ed1a5cd3782485
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4u-2092000000-015888f8c19be0f7c4d5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-c298fa028280f3dd2114
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05gl-3490000000-a28dabcea31c58d243f7

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	198.0579213	predicted	DarkChem Lite v0.1.0
[M-H]-	179.27922	predicted	DeepCCS 1.0 (2019)
[M+H]+	198.5530213	predicted	DarkChem Lite v0.1.0
[M+H]+	181.63724	predicted	DeepCCS 1.0 (2019)
[M+Na]+	188.66542	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties