CID 2986297

N-(3-chloro-4-fluorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C17H20ClFN2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C17H20ClFN2O2/c18-14-9-12(6-7-15(14)19)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h6-7,9,11,13H,1-5,8,10H2,(H,20,23)
InChIKey
BGWCVFVVICITEJ-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.11972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12700 179.3
[M+Na]+ 361.10894 184.5
[M-H]- 337.11244 185.3
[M+NH4]+ 356.15354 193.3
[M+K]+ 377.08288 178.4
[M+H-H2O]+ 321.11698 170.1
[M+HCOO]- 383.11792 191.3
[M+CH3COO]- 397.13357 209.8
[M+Na-2H]- 359.09439 175.8
[M]+ 338.11917 173.7
[M]- 338.12027 173.7
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.