CID 5279105

N-(cyclopentanecarbonyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

Structural Information

Molecular Formula
C22H21N3O3
SMILES
C1CCC(C1)C(=O)NC(=O)C2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C22H21N3O3/c26-20(15-10-4-5-11-15)25-22(28)19-21(27)23-17-13-7-6-12-16(17)18(24-19)14-8-2-1-3-9-14/h1-3,6-9,12-13,15,19H,4-5,10-11H2,(H,23,27)(H,25,26,28)
InChIKey
IPGXCEPCYJNCHU-UHFFFAOYSA-N
Compound name
N-(cyclopentanecarbonyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1583 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16558 190.5
[M+Na]+ 398.14752 193.7
[M-H]- 374.15102 197.8
[M+NH4]+ 393.19212 200.0
[M+K]+ 414.12146 192.4
[M+H-H2O]+ 358.15556 180.9
[M+HCOO]- 420.15650 205.4
[M+CH3COO]- 434.17215 198.0
[M+Na-2H]- 396.13297 189.6
[M]+ 375.15775 182.8
[M]- 375.15885 182.8
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

No patent data available for this compound.