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

4
Patents

342.07712 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.084396 174.9
[M+Na]+ 365.066338 184.4
[M-H]- 341.069844 181.1
[M+NH4]+ 360.110943 187.3
[M+K]+ 381.040278 183.4
[M+H-H2O]+ 325.074380 166.4
[M+HCOO]- 387.075321 187.8
[M+CH3COO]- 401.090971 185.4
[M+Na-2H]- 363.051786 176.9
[M]+ 342.07657142 174.8
[M]- 342.07766858 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