CID 37632

Adinazolam

Structural Information

Molecular Formula

C₁₉H₁₈ClN₅

SMILES

CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3

InChIKey

GJSLOMWRLALDCT-UHFFFAOYSA-N

Compound name

1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 109
References: 7231
Patents: 351.12506 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.132336	183.4
[M+Na]+	374.114278	194.5
[M-H]-	350.117784	189.6
[M+NH4]+	369.158883	195.9
[M+K]+	390.088218	191.2
[M+H-H2O]+	334.122320	171.4
[M+HCOO]-	396.123261	197.8
[M+CH3COO]-	410.138911	193.7
[M+Na-2H]-	372.099726	187.8
[M]+	351.12451142	185.6
[M]-	351.12560858	185.6

Literature stripe

literature stripe

Patent stripe

patents stripe