CID 10477893

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

Structural Information

Molecular Formula
C20H13BrF3N3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C20H13BrF3N3/c21-16-6-4-13(5-7-16)11-27-9-8-17-18(12-27)26-19(25-17)14-2-1-3-15(10-14)20(22,23)24/h1-10,12H,11H2
InChIKey
RWWTWZZOMIILMB-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

431.02448 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.03176 198.5
[M+Na]+ 454.01370 211.6
[M-H]- 430.01720 204.6
[M+NH4]+ 449.05830 211.1
[M+K]+ 469.98764 196.8
[M+H-H2O]+ 414.02174 193.1
[M+HCOO]- 476.02268 211.7
[M+CH3COO]- 490.03833 209.1
[M+Na-2H]- 451.99915 201.8
[M]+ 431.02393 214.5
[M]- 431.02503 214.5
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