CID 2813098

1-((2-ethyl-4-methyl-1h-imidazol-5-yl)methyl)-4-(4-(trifluoromethyl)-2-pyridinyl)piperazine

Structural Information

Molecular Formula
C17H22F3N5
SMILES
CCC1=NC(=C(N1)C)CN2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H22F3N5/c1-3-15-22-12(2)14(23-15)11-24-6-8-25(9-7-24)16-10-13(4-5-21-16)17(18,19)20/h4-5,10H,3,6-9,11H2,1-2H3,(H,22,23)
InChIKey
PJNIZAZDWHCMSB-UHFFFAOYSA-N
Compound name
1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[4-(trifluoromethyl)pyridin-2-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

353.18274 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19002 186.8
[M+Na]+ 376.17196 194.2
[M-H]- 352.17546 184.5
[M+NH4]+ 371.21656 194.0
[M+K]+ 392.14590 186.6
[M+H-H2O]+ 336.18000 172.9
[M+HCOO]- 398.18094 194.7
[M+CH3COO]- 412.19659 211.4
[M+Na-2H]- 374.15741 185.0
[M]+ 353.18219 179.3
[M]- 353.18329 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.