CID 5279377

Schembl642034

Structural Information

Molecular Formula
C24H21N3O3
SMILES
C1=CC=C(C=C1)CC(C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)O
InChI
InChI=1S/C24H21N3O3/c28-20(15-16-9-3-1-4-10-16)23(29)27-22-24(30)25-19-14-8-7-13-18(19)21(26-22)17-11-5-2-6-12-17/h1-14,20,22,28H,15H2,(H,25,30)(H,27,29)
InChIKey
NYOPKVPOEVTVII-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

399.1583 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 197.1
[M+Na]+ 422.14752 200.9
[M-H]- 398.15102 203.2
[M+NH4]+ 417.19212 203.4
[M+K]+ 438.12146 199.6
[M+H-H2O]+ 382.15556 187.2
[M+HCOO]- 444.15650 211.7
[M+CH3COO]- 458.17215 203.9
[M+Na-2H]- 420.13297 199.7
[M]+ 399.15775 191.0
[M]- 399.15885 191.0
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

patents stripe