CID 40113

Phenazepam

Structural Information

Molecular Formula
C15H10BrClN2O
SMILES
C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl
InChI
InChI=1S/C15H10BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
InChIKey
CGMJQQJSWIRRRL-UHFFFAOYSA-N
Compound name
7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

290
References

1160
Patents

347.9665 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.97378 165.7
[M+Na]+ 370.95572 171.5
[M+NH4]+ 366.00032 170.2
[M+K]+ 386.92966 170.0
[M-H]- 346.95922 167.6
[M+Na-2H]- 368.94117 170.5
[M]+ 347.96595 166.4
[M]- 347.96705 166.4
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