CID 4196951

3-dehydroxy-3-oxo-4,5-dihydro oxazepam

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=O)C(=O)N2
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/h1-8,13H,(H,17,19)(H,18,20)
InChIKey
ZPRNOXLABKLWNP-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-4,5-dihydro-1H-1,4-benzodiazepine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 161.9
[M+Na]+ 309.04012 175.2
[M+NH4]+ 304.08472 168.9
[M+K]+ 325.01406 169.0
[M-H]- 285.04362 164.3
[M+Na-2H]- 307.02557 168.4
[M]+ 286.05035 164.7
[M]- 286.05145 164.7
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.