CID 11703022

Chembl205801

Structural Information

Molecular Formula
C20H19N3O3
SMILES
C1CC(OC1)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C20H19N3O3/c24-19(16-11-6-12-26-16)23-18-20(25)21-15-10-5-4-9-14(15)17(22-18)13-7-2-1-3-8-13/h1-5,7-10,16,18H,6,11-12H2,(H,21,25)(H,23,24)
InChIKey
ODRLHWKSMWLWIE-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.14264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14992 183.0
[M+Na]+ 372.13186 187.3
[M-H]- 348.13536 191.1
[M+NH4]+ 367.17646 192.4
[M+K]+ 388.10580 186.8
[M+H-H2O]+ 332.13990 173.4
[M+HCOO]- 394.14084 198.4
[M+CH3COO]- 408.15649 191.4
[M+Na-2H]- 370.11731 184.4
[M]+ 349.14209 176.5
[M]- 349.14319 176.5
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

No patent data available for this compound.