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
1
Annotation Hits

1
References

57
Patents

368.12915 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13643 185.2
[M+Na]+ 391.11837 194.1
[M-H]- 367.12187 193.1
[M+NH4]+ 386.16297 191.6
[M+K]+ 407.09231 191.4
[M+H-H2O]+ 351.12641 175.4
[M+HCOO]- 413.12735 199.2
[M+CH3COO]- 427.14300 194.1
[M+Na-2H]- 389.10382 187.8
[M]+ 368.12860 187.8
[M]- 368.12970 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.