CID 2266114

(3s)-1-cyclohexyl-5-oxo-n-phenylpyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C17H22N2O2
SMILES
C1CCC(CC1)N2C[C@H](CC2=O)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1
InChIKey
BVUSHGJZBZMDML-ZDUSSCGKSA-N
Compound name
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 168.1
[M+Na]+ 309.15734 170.6
[M-H]- 285.16084 175.1
[M+NH4]+ 304.20194 182.9
[M+K]+ 325.13128 166.7
[M+H-H2O]+ 269.16538 159.0
[M+HCOO]- 331.16632 185.9
[M+CH3COO]- 345.18197 201.1
[M+Na-2H]- 307.14279 167.2
[M]+ 286.16757 160.5
[M]- 286.16867 160.5
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.