CID 212750

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

Structural Information

Molecular Formula
C24H19ClN2O5
SMILES
COC1=C(C=C(C=C1)C(=O)N2C(=O)CC(=O)N(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)OC
InChI
InChI=1S/C24H19ClN2O5/c1-31-20-11-8-15(12-21(20)32-2)24(30)27-18-10-9-16(25)13-19(18)26(22(28)14-23(27)29)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKey
PFOQDFVFEHQHKP-UHFFFAOYSA-N
Compound name
7-chloro-1-(3,4-dimethoxybenzoyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.09824 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.10552 205.0
[M+Na]+ 473.08746 214.2
[M-H]- 449.09096 214.2
[M+NH4]+ 468.13206 212.7
[M+K]+ 489.06140 214.0
[M+H-H2O]+ 433.09550 194.5
[M+HCOO]- 495.09644 217.1
[M+CH3COO]- 509.11209 213.8
[M+Na-2H]- 471.07291 204.8
[M]+ 450.09769 207.7
[M]- 450.09879 207.7
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.