CID 3021863

5-(4-(3-trifluoromethylphenyl)piperazin-1-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C15H18F3N3O
SMILES
C1CC(=O)NC1N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C15H18F3N3O/c16-15(17,18)11-2-1-3-12(10-11)20-6-8-21(9-7-20)13-4-5-14(22)19-13/h1-3,10,13H,4-9H2,(H,19,22)
InChIKey
CPTLQTDHMMCBHD-UHFFFAOYSA-N
Compound name
5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

313.1402 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14748 172.9
[M+Na]+ 336.12942 178.4
[M-H]- 312.13292 172.5
[M+NH4]+ 331.17402 183.9
[M+K]+ 352.10336 172.3
[M+H-H2O]+ 296.13746 160.6
[M+HCOO]- 358.13840 181.9
[M+CH3COO]- 372.15405 200.7
[M+Na-2H]- 334.11487 171.2
[M]+ 313.13965 161.2
[M]- 313.14075 161.2
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

patents stripe