CID 212770

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

Structural Information

Molecular Formula
C23H17ClN2O3
SMILES
CC1=CC=C(C=C1)C(=O)N2C(=O)CC(=O)N(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H17ClN2O3/c1-15-7-9-16(10-8-15)23(29)26-19-12-11-17(24)13-20(19)25(21(27)14-22(26)28)18-5-3-2-4-6-18/h2-13H,14H2,1H3
InChIKey
VSBNMXRPYOFXJY-UHFFFAOYSA-N
Compound name
7-chloro-1-(4-methylbenzoyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.09277 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10005 195.9
[M+Na]+ 427.08199 211.2
[M+NH4]+ 422.12659 202.4
[M+K]+ 443.05593 203.5
[M-H]- 403.08549 200.9
[M+Na-2H]- 425.06744 203.7
[M]+ 404.09222 199.9
[M]- 404.09332 199.9
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.