CID 10021492

Chembl206086

Structural Information

Molecular Formula
C22H23N3O2
SMILES
C1CCC(CC1)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C22H23N3O2/c26-21(16-11-5-2-6-12-16)25-20-22(27)23-18-14-8-7-13-17(18)19(24-20)15-9-3-1-4-10-15/h1,3-4,7-10,13-14,16,20H,2,5-6,11-12H2,(H,23,27)(H,25,26)
InChIKey
RYSKFDQMKULSGP-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

361.17902 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 188.4
[M+Na]+ 384.16824 191.0
[M-H]- 360.17174 194.7
[M+NH4]+ 379.21284 196.7
[M+K]+ 400.14218 189.2
[M+H-H2O]+ 344.17628 178.1
[M+HCOO]- 406.17722 201.7
[M+CH3COO]- 420.19287 195.3
[M+Na-2H]- 382.15369 190.2
[M]+ 361.17847 178.5
[M]- 361.17957 178.5
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

patents stripe