CID 68777

Clazepam

Structural Information

Molecular Formula
C21H21ClN2O2
SMILES
C1CC1COCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H21ClN2O2/c22-17-8-9-19-18(12-17)21(16-4-2-1-3-5-16)23-13-20(25)24(19)10-11-26-14-15-6-7-15/h1-5,8-9,12,15H,6-7,10-11,13-14H2
InChIKey
PLRHQQPBNXIHAZ-UHFFFAOYSA-N
Compound name
7-chloro-1-[2-(cyclopropylmethoxy)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

59
Patents

368.12915 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.136426 185.2
[M+Na]+ 391.118368 194.1
[M-H]- 367.121874 193.1
[M+NH4]+ 386.162973 191.6
[M+K]+ 407.092308 191.4
[M+H-H2O]+ 351.126410 175.4
[M+HCOO]- 413.127351 199.2
[M+CH3COO]- 427.143001 194.1
[M+Na-2H]- 389.103816 187.8
[M]+ 368.12860142 187.8
[M]- 368.12969858 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe