CID 667537

124444-77-5

Structural Information

Molecular Formula
C17H16F3N3O
SMILES
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H16F3N3O/c18-17(19,20)14-4-1-5-15(11-14)22-7-9-23(10-8-22)16(24)13-3-2-6-21-12-13/h1-6,11-12H,7-10H2
InChIKey
TXIRGEIUXFTVHL-UHFFFAOYSA-N
Compound name
pyridin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

335.12454 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13182 178.2
[M+Na]+ 358.11376 188.4
[M+NH4]+ 353.15836 182.5
[M+K]+ 374.08770 182.4
[M-H]- 334.11726 177.3
[M+Na-2H]- 356.09921 184.4
[M]+ 335.12399 179.1
[M]- 335.12509 179.1
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