CID 16072556

Chembl424724

Structural Information

Molecular Formula
C24H28N2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H28N2O2/c27-23-16-20(17-26(23)22-12-5-2-6-13-22)24(28)25-21-11-7-10-19(15-21)14-18-8-3-1-4-9-18/h1,3-4,7-11,15,20,22H,2,5-6,12-14,16-17H2,(H,25,28)
InChIKey
JYYRFSFIFTZMIR-UHFFFAOYSA-N
Compound name
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22238 192.3
[M+Na]+ 399.20432 193.7
[M-H]- 375.20782 201.9
[M+NH4]+ 394.24892 202.9
[M+K]+ 415.17826 187.9
[M+H-H2O]+ 359.21236 181.3
[M+HCOO]- 421.21330 208.9
[M+CH3COO]- 435.22895 199.9
[M+Na-2H]- 397.18977 189.3
[M]+ 376.21455 184.8
[M]- 376.21565 184.8
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.