CID 44418336

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

Structural Information

Molecular Formula
C20H14F3N3O
SMILES
C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C20H14F3N3O/c21-20(22,23)27-16-8-6-14(7-9-16)12-26-11-10-17-18(13-26)25-19(24-17)15-4-2-1-3-5-15/h1-11,13H,12H2
InChIKey
YVZZMJPAQODVFB-UHFFFAOYSA-N
Compound name
2-phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

369.1089 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11618 186.1
[M+Na]+ 392.09812 195.9
[M-H]- 368.10162 189.3
[M+NH4]+ 387.14272 196.6
[M+K]+ 408.07206 188.2
[M+H-H2O]+ 352.10616 172.4
[M+HCOO]- 414.10710 201.3
[M+CH3COO]- 428.12275 195.2
[M+Na-2H]- 390.08357 189.9
[M]+ 369.10835 184.4
[M]- 369.10945 184.4
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