CID 211115

7-chloro-1-ethyl-5-phenyl-1h-1,5-benzodiazepine-2,4(3h,5h)-dione

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
CCN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H15ClN2O2/c1-2-19-14-9-8-12(18)10-15(14)20(17(22)11-16(19)21)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3
InChIKey
GWVJSTVUWPHUTL-UHFFFAOYSA-N
Compound name
7-chloro-1-ethyl-5-phenyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.0822 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 169.8
[M+Na]+ 337.07142 179.8
[M-H]- 313.07492 175.9
[M+NH4]+ 332.11602 183.4
[M+K]+ 353.04536 178.1
[M+H-H2O]+ 297.07946 161.3
[M+HCOO]- 359.08040 183.5
[M+CH3COO]- 373.09605 180.8
[M+Na-2H]- 335.05687 173.1
[M]+ 314.08165 169.2
[M]- 314.08275 169.2
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