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]+ 287.175396 168.1
[M+Na]+ 309.157338 170.6
[M-H]- 285.160844 175.1
[M+NH4]+ 304.201943 182.9
[M+K]+ 325.131278 166.7
[M+H-H2O]+ 269.165380 159.0
[M+HCOO]- 331.166321 185.9
[M+CH3COO]- 345.181971 201.1
[M+Na-2H]- 307.142786 167.2
[M]+ 286.16757142 160.5
[M]- 286.16866858 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.