CID 16077259

N-(3,5-bis(trifluoromethyl)phenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C19H20F6N2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C19H20F6N2O2/c20-18(21,22)12-7-13(19(23,24)25)9-14(8-12)26-17(29)11-6-16(28)27(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,26,29)
InChIKey
FMNDUTDBRNXANL-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.14288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.15016 194.7
[M+Na]+ 445.13210 199.5
[M-H]- 421.13560 194.5
[M+NH4]+ 440.17670 204.4
[M+K]+ 461.10604 193.8
[M+H-H2O]+ 405.14014 181.6
[M+HCOO]- 467.14108 202.1
[M+CH3COO]- 481.15673 225.3
[M+Na-2H]- 443.11755 190.2
[M]+ 422.14233 180.8
[M]- 422.14343 180.8
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.