CID 212753

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

Structural Information

Molecular Formula
C22H14ClN3O5
SMILES
C1C(=O)N(C2=C(C=CC(=C2)Cl)N(C1=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C22H14ClN3O5/c23-15-8-11-18-19(12-15)24(16-4-2-1-3-5-16)20(27)13-21(28)25(18)22(29)14-6-9-17(10-7-14)26(30)31/h1-12H,13H2
InChIKey
NLYLZICPZVEHCE-UHFFFAOYSA-N
Compound name
7-chloro-1-(4-nitrobenzoyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.0622 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.06948 203.2
[M+Na]+ 458.05142 210.1
[M-H]- 434.05492 212.0
[M+NH4]+ 453.09602 210.0
[M+K]+ 474.02536 205.9
[M+H-H2O]+ 418.05946 196.8
[M+HCOO]- 480.06040 216.3
[M+CH3COO]- 494.07605 221.2
[M+Na-2H]- 456.03687 206.1
[M]+ 435.06165 200.9
[M]- 435.06275 200.9
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.