CID 5279119

Chembl74515

Structural Information

Molecular Formula
C22H15Cl2N3O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H15Cl2N3O2/c23-16-11-10-14(12-17(16)24)21(28)27-20-22(29)25-18-9-5-4-8-15(18)19(26-20)13-6-2-1-3-7-13/h1-12,20H,(H,25,29)(H,27,28)
InChIKey
SLKXASVZRYFIDY-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

423.05414 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.06142 197.7
[M+Na]+ 446.04336 207.5
[M-H]- 422.04686 204.5
[M+NH4]+ 441.08796 206.2
[M+K]+ 462.01730 204.1
[M+H-H2O]+ 406.05140 187.6
[M+HCOO]- 468.05234 206.3
[M+CH3COO]- 482.06799 206.0
[M+Na-2H]- 444.02881 200.1
[M]+ 423.05359 196.5
[M]- 423.05469 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe