CID 5279111

Schembl642047

Structural Information

Molecular Formula
C22H17N3O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H17N3O2/c26-21(16-11-5-2-6-12-16)25-20-22(27)23-18-14-8-7-13-17(18)19(24-20)15-9-3-1-4-10-15/h1-14,20H,(H,23,27)(H,25,26)
InChIKey
QFKKCJIHGIAESG-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

355.13208 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 187.0
[M+Na]+ 378.12130 192.6
[M-H]- 354.12480 194.5
[M+NH4]+ 373.16590 195.8
[M+K]+ 394.09524 190.6
[M+H-H2O]+ 338.12934 177.1
[M+HCOO]- 400.13028 204.3
[M+CH3COO]- 414.14593 195.4
[M+Na-2H]- 376.10675 191.7
[M]+ 355.13153 181.1
[M]- 355.13263 181.1
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