CID 212749

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

Structural Information

Molecular Formula
C23H17ClN2O3
SMILES
C1C(=O)N(C2=C(C=CC(=C2)Cl)N(C1=O)C(=O)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H17ClN2O3/c24-17-11-12-19-20(14-17)25(18-9-5-2-6-10-18)22(28)15-23(29)26(19)21(27)13-16-7-3-1-4-8-16/h1-12,14H,13,15H2
InChIKey
SYYZVJYGTBEQGB-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-1-(2-phenylacetyl)-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

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10005 195.6
[M+Na]+ 427.08199 204.3
[M-H]- 403.08549 204.1
[M+NH4]+ 422.12659 204.8
[M+K]+ 443.05593 201.9
[M+H-H2O]+ 387.09003 185.3
[M+HCOO]- 449.09097 207.8
[M+CH3COO]- 463.10662 204.5
[M+Na-2H]- 425.06744 196.9
[M]+ 404.09222 194.6
[M]- 404.09332 194.6
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.