CID 5279123

Chembl72841

Structural Information

Molecular Formula
C22H16ClN3O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C22H16ClN3O2/c23-17-12-6-4-10-15(17)21(27)26-20-22(28)24-18-13-7-5-11-16(18)19(25-20)14-8-2-1-3-9-14/h1-13,20H,(H,24,28)(H,26,27)
InChIKey
GOMDSPJSSHBALS-UHFFFAOYSA-N
Compound name
2-chloro-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

36
Patents

389.0931 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10038 193.1
[M+Na]+ 412.08232 201.0
[M-H]- 388.08582 200.5
[M+NH4]+ 407.12692 201.9
[M+K]+ 428.05626 198.1
[M+H-H2O]+ 372.09036 183.0
[M+HCOO]- 434.09130 206.3
[M+CH3COO]- 448.10695 201.6
[M+Na-2H]- 410.06777 196.7
[M]+ 389.09255 190.0
[M]- 389.09365 190.0
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