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
6
Annotation Hits

161
References

16691
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 175.7
[M+Na]+ 347.09216 191.8
[M+NH4]+ 342.13676 184.4
[M+K]+ 363.06610 184.8
[M-H]- 323.09566 187.1
[M+Na-2H]- 345.07761 186.4
[M]+ 324.10239 182.8
[M]- 324.10349 182.8
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