CID 5279106

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

Structural Information

Molecular Formula
C23H23N3O3
SMILES
C1CCC(CC1)C(=O)NC(=O)C2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3O3/c27-21(16-11-5-2-6-12-16)26-23(29)20-22(28)24-18-14-8-7-13-17(18)19(25-20)15-9-3-1-4-10-15/h1,3-4,7-10,13-14,16,20H,2,5-6,11-12H2,(H,24,28)(H,26,27,29)
InChIKey
FIDBLLSZWDLORQ-UHFFFAOYSA-N
Compound name
N-(cyclohexanecarbonyl)-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

389.17395 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18123 193.9
[M+Na]+ 412.16317 196.0
[M-H]- 388.16667 200.2
[M+NH4]+ 407.20777 201.0
[M+K]+ 428.13711 195.0
[M+H-H2O]+ 372.17121 183.6
[M+HCOO]- 434.17215 206.4
[M+CH3COO]- 448.18780 200.3
[M+Na-2H]- 410.14862 194.5
[M]+ 389.17340 184.5
[M]- 389.17450 184.5
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.