CID 217133

38160-08-6

Structural Information

Molecular Formula
C16H18F3N3O2
SMILES
C1CN(CCN1)C(=O)C2CC(=O)N(C2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H18F3N3O2/c17-16(18,19)12-2-1-3-13(9-12)22-10-11(8-14(22)23)15(24)21-6-4-20-5-7-21/h1-3,9,11,20H,4-8,10H2
InChIKey
VVQDUCZKZVTNHG-UHFFFAOYSA-N
Compound name
4-(piperazine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

341.1351 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14238 178.9
[M+Na]+ 364.12432 183.8
[M-H]- 340.12782 178.5
[M+NH4]+ 359.16892 188.5
[M+K]+ 380.09826 178.1
[M+H-H2O]+ 324.13236 166.7
[M+HCOO]- 386.13330 186.9
[M+CH3COO]- 400.14895 205.2
[M+Na-2H]- 362.10977 175.8
[M]+ 341.13455 167.5
[M]- 341.13565 167.5
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.