CID 217806

39630-19-8

Structural Information

Molecular Formula
C17H19F3N2O2
SMILES
C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H19F3N2O2/c18-17(19,20)13-5-4-6-14(10-13)22-11-12(9-15(22)23)16(24)21-7-2-1-3-8-21/h4-6,10,12H,1-3,7-9,11H2
InChIKey
DNHDESPTAGLZEJ-UHFFFAOYSA-N
Compound name
4-(piperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13986 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14714 178.6
[M+Na]+ 363.12908 183.5
[M-H]- 339.13258 180.7
[M+NH4]+ 358.17368 190.4
[M+K]+ 379.10302 178.7
[M+H-H2O]+ 323.13712 166.8
[M+HCOO]- 385.13806 189.1
[M+CH3COO]- 399.15371 207.8
[M+Na-2H]- 361.11453 175.4
[M]+ 340.13931 168.8
[M]- 340.14041 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.