CID 24107

Clazolam

Structural Information

Molecular Formula

C₁₈H₁₇ClN₂O

SMILES

CN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl

InChI

InChI=1S/C18H17ClN2O/c1-20-16-7-6-13(19)10-15(16)18-14-5-3-2-4-12(14)8-9-21(18)11-17(20)22/h2-7,10,18H,8-9,11H2,1H3

InChIKey

YAQKGZXXQNKEET-UHFFFAOYSA-N

Compound name

2-chloro-5-methyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 550
Patents: 312.10294 Da
Monoisotopic Mass: 3.3
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]+	313.110216	170.5
[M+Na]+	335.092158	180.7
[M-H]-	311.095664	174.9
[M+NH4]+	330.136763	186.2
[M+K]+	351.066098	177.2
[M+H-H2O]+	295.100200	162.6
[M+HCOO]-	357.101141	180.4
[M+CH3COO]-	371.116791	180.8
[M+Na-2H]-	333.077606	175.6
[M]+	312.10239142	168.2
[M]-	312.10348858	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe