CID 3079110

Piperazine, 1-(3-pyridinylcarbonyl)-4-(2-(trifluoromethyl)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H16F3N3O
SMILES
C1CN(CCN1C2=CC=CC=C2C(F)(F)F)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H16F3N3O/c18-17(19,20)14-5-1-2-6-15(14)22-8-10-23(11-9-22)16(24)13-4-3-7-21-12-13/h1-7,12H,8-11H2
InChIKey
DQAZEMUEHYLLBC-UHFFFAOYSA-N
Compound name
pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 178.1
[M+Na]+ 358.11376 184.1
[M-H]- 334.11726 178.9
[M+NH4]+ 353.15836 186.6
[M+K]+ 374.08770 178.0
[M+H-H2O]+ 318.12180 164.2
[M+HCOO]- 380.12274 188.7
[M+CH3COO]- 394.13839 207.6
[M+Na-2H]- 356.09921 180.2
[M]+ 335.12399 169.6
[M]- 335.12509 169.6
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.