CID 11546624

Chembl383510

Structural Information

Molecular Formula
C28H27N3O2
SMILES
C1CCC(CC1)C2=CC=CC=C2C(=O)NC3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5
InChI
InChI=1S/C28H27N3O2/c32-27(22-16-8-7-15-21(22)19-11-3-1-4-12-19)31-26-28(33)29-24-18-10-9-17-23(24)25(30-26)20-13-5-2-6-14-20/h2,5-10,13-19,26H,1,3-4,11-12H2,(H,29,33)(H,31,32)
InChIKey
ZWGZNSHTARTLGP-UHFFFAOYSA-N
Compound name
2-cyclohexyl-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

0
Patents

437.21033 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.21761 211.1
[M+Na]+ 460.19955 213.2
[M-H]- 436.20305 219.8
[M+NH4]+ 455.24415 215.9
[M+K]+ 476.17349 210.1
[M+H-H2O]+ 420.20759 199.3
[M+HCOO]- 482.20853 223.3
[M+CH3COO]- 496.22418 216.3
[M+Na-2H]- 458.18500 211.2
[M]+ 437.20978 200.8
[M]- 437.21088 200.8
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.