CID 3161308

1-cyclohexyl-n-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C17H20F2N2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)F)F
InChI
InChI=1S/C17H20F2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)
InChIKey
HZTMPDOVKYDTNV-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.1493 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15658 174.4
[M+Na]+ 345.13852 178.8
[M-H]- 321.14202 179.3
[M+NH4]+ 340.18312 188.2
[M+K]+ 361.11246 174.0
[M+H-H2O]+ 305.14656 163.8
[M+HCOO]- 367.14750 190.0
[M+CH3COO]- 381.16315 208.9
[M+Na-2H]- 343.12397 170.9
[M]+ 322.14875 165.5
[M]- 322.14985 165.5
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.