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

2
Patents

286.0509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.058176 162.2
[M+Na]+ 309.040118 171.4
[M-H]- 285.043624 165.7
[M+NH4]+ 304.084723 175.3
[M+K]+ 325.014058 168.6
[M+H-H2O]+ 269.048160 154.5
[M+HCOO]- 331.049101 173.8
[M+CH3COO]- 345.064751 172.4
[M+Na-2H]- 307.025566 166.4
[M]+ 286.05035142 157.3
[M]- 286.05144858 157.3
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

patents stripe