CID 212746

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

Structural Information

Molecular Formula
C22H13Cl3N2O3
SMILES
C1C(=O)N(C2=C(C=CC(=C2)Cl)N(C1=O)C(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C22H13Cl3N2O3/c23-13-6-8-16(17(25)10-13)22(30)27-18-9-7-14(24)11-19(18)26(20(28)12-21(27)29)15-4-2-1-3-5-15/h1-11H,12H2
InChIKey
NVCGYCAARHKXPE-UHFFFAOYSA-N
Compound name
7-chloro-1-(2,4-dichlorobenzoyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.99918 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.00646 199.2
[M+Na]+ 480.98840 211.4
[M-H]- 456.99190 206.1
[M+NH4]+ 476.03300 207.9
[M+K]+ 496.96234 208.9
[M+H-H2O]+ 440.99644 189.0
[M+HCOO]- 502.99738 202.3
[M+CH3COO]- 517.01303 207.7
[M+Na-2H]- 478.97385 198.5
[M]+ 457.99863 200.6
[M]- 457.99973 200.6
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.