CID 2989420

N-(4-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H21ClN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H,19,22)
InChIKey
QPMGUKBVDZLVFO-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.