CID 2991467

1-cyclohexyl-n-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CC1=CC(=CC=C1)NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChI
InChI=1S/C18H24N2O2/c1-13-6-5-7-15(10-13)19-18(22)14-11-17(21)20(12-14)16-8-3-2-4-9-16/h5-7,10,14,16H,2-4,8-9,11-12H2,1H3,(H,19,22)
InChIKey
KUIIKQWAMXQELB-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 172.7
[M+Na]+ 323.17300 175.7
[M-H]- 299.17650 179.9
[M+NH4]+ 318.21760 187.2
[M+K]+ 339.14694 171.6
[M+H-H2O]+ 283.18104 163.7
[M+HCOO]- 345.18198 190.1
[M+CH3COO]- 359.19763 205.3
[M+Na-2H]- 321.15845 170.6
[M]+ 300.18323 165.9
[M]- 300.18433 165.9
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.