CID 3112066

N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H21ClN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)
InChIKey
QDQDCZORMCIXHY-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

320.12915 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13643 176.6
[M+Na]+ 343.11837 180.8
[M-H]- 319.12187 183.7
[M+NH4]+ 338.16297 191.2
[M+K]+ 359.09231 175.2
[M+H-H2O]+ 303.12641 168.1
[M+HCOO]- 365.12735 189.8
[M+CH3COO]- 379.14300 205.9
[M+Na-2H]- 341.10382 174.4
[M]+ 320.12860 171.7
[M]- 320.12970 171.7
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