CID 44418320

2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C20H14F3N3
SMILES
C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C20H14F3N3/c21-20(22,23)16-8-4-5-14(11-16)12-26-10-9-17-18(13-26)25-19(24-17)15-6-2-1-3-7-15/h1-11,13H,12H2
InChIKey
XCIMCYYAYVQPIS-UHFFFAOYSA-N
Compound name
2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

353.11398 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12126 183.0
[M+Na]+ 376.10320 193.0
[M-H]- 352.10670 186.2
[M+NH4]+ 371.14780 194.2
[M+K]+ 392.07714 184.6
[M+H-H2O]+ 336.11124 169.4
[M+HCOO]- 398.11218 198.0
[M+CH3COO]- 412.12783 192.3
[M+Na-2H]- 374.08865 186.6
[M]+ 353.11343 179.9
[M]- 353.11453 179.9
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

patents stripe