CID 212130

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

Structural Information

Molecular Formula
C18H15ClN2O3
SMILES
CCC(=O)N1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H15ClN2O3/c1-2-16(22)21-14-9-8-12(19)10-15(14)20(17(23)11-18(21)24)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3
InChIKey
FVNSAGQEFPPDKP-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-1-propanoyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.07712 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08440 174.9
[M+Na]+ 365.06634 184.4
[M-H]- 341.06984 181.1
[M+NH4]+ 360.11094 187.3
[M+K]+ 381.04028 183.4
[M+H-H2O]+ 325.07438 166.4
[M+HCOO]- 387.07532 187.8
[M+CH3COO]- 401.09097 185.4
[M+Na-2H]- 363.05179 176.9
[M]+ 342.07657 174.8
[M]- 342.07767 174.8
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

patents stripe