CID 16072557

913741-80-7

Structural Information

Molecular Formula
C23H26N2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H26N2O2/c26-22-15-19(16-25(22)21-12-5-2-6-13-21)23(27)24-20-11-7-10-18(14-20)17-8-3-1-4-9-17/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2,(H,24,27)
InChIKey
SAHWVBVPIZFVLV-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.19943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 188.0
[M+Na]+ 385.18865 189.9
[M-H]- 361.19215 197.8
[M+NH4]+ 380.23325 199.2
[M+K]+ 401.16259 184.2
[M+H-H2O]+ 345.19669 177.2
[M+HCOO]- 407.19763 204.9
[M+CH3COO]- 421.21328 196.1
[M+Na-2H]- 383.17410 185.5
[M]+ 362.19888 180.2
[M]- 362.19998 180.2
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.