CID 89657

Norclobazam

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1C(=O)NC2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)
InChIKey
RRTVVRIFVKKTJK-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-1H-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

66
References

230
Patents

286.0509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 161.7
[M+Na]+ 309.04012 175.5
[M+NH4]+ 304.08472 169.0
[M+K]+ 325.01406 169.0
[M-H]- 285.04362 164.6
[M+Na-2H]- 307.02557 168.8
[M]+ 286.05035 164.8
[M]- 286.05145 164.8
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