CID 16077255

1-cyclohexyl-5-oxo-n-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C18H21F3N2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H21F3N2O2/c19-18(20,21)13-5-4-6-14(10-13)22-17(25)12-9-16(24)23(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,22,25)
InChIKey
IPSSVVJVDINOLY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.15552 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16280 181.5
[M+Na]+ 377.14474 185.1
[M-H]- 353.14824 184.8
[M+NH4]+ 372.18934 193.7
[M+K]+ 393.11868 180.2
[M+H-H2O]+ 337.15278 170.3
[M+HCOO]- 399.15372 194.1
[M+CH3COO]- 413.16937 213.1
[M+Na-2H]- 375.13019 178.6
[M]+ 354.15497 170.9
[M]- 354.15607 170.9
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.