CID 4890

Prazepam

Structural Information

Molecular Formula
C19H17ClN2O
SMILES
C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2
InChIKey
MWQCHHACWWAQLJ-UHFFFAOYSA-N
Compound name
7-chloro-1-(cyclopropylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

161
References

17187
Patents

324.10294 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11022 173.8
[M+Na]+ 347.09216 183.8
[M-H]- 323.09566 182.1
[M+NH4]+ 342.13676 182.0
[M+K]+ 363.06610 180.8
[M+H-H2O]+ 307.10020 164.5
[M+HCOO]- 369.10114 188.4
[M+CH3COO]- 383.11679 183.8
[M+Na-2H]- 345.07761 177.4
[M]+ 324.10239 174.5
[M]- 324.10349 174.5
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