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
9
Annotation Hits

1402
References

37212
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 161.7
[M+Na]+ 309.04012 171.6
[M-H]- 285.04362 165.6
[M+NH4]+ 304.08472 175.0
[M+K]+ 325.01406 169.3
[M+H-H2O]+ 269.04816 154.1
[M+HCOO]- 331.04910 174.5
[M+CH3COO]- 345.06475 172.4
[M+Na-2H]- 307.02557 166.9
[M]+ 286.05035 158.8
[M]- 286.05145 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.