CID 4616

Oxazepam

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
InChI
InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
InChIKey
ADIMAYPTOBDMTL-UHFFFAOYSA-N
Compound name
7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1399
References

36870
Patents

286.0509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 161.6
[M+Na]+ 309.04012 175.8
[M+NH4]+ 304.08472 168.9
[M+K]+ 325.01406 169.4
[M-H]- 285.04362 164.5
[M+Na-2H]- 307.02557 169.1
[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