CID 16077352

5-[(4-bromophenyl)methyl]-2-(2-ethylphenyl)imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C21H18BrN3
SMILES
CCC1=CC=CC=C1C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C21H18BrN3/c1-2-16-5-3-4-6-18(16)21-23-19-11-12-25(14-20(19)24-21)13-15-7-9-17(22)10-8-15/h3-12,14H,2,13H2,1H3
InChIKey
UDYQHUQZQVFJCE-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-(2-ethylphenyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.06842 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.07570 188.3
[M+Na]+ 414.05764 200.4
[M-H]- 390.06114 197.6
[M+NH4]+ 409.10224 202.4
[M+K]+ 430.03158 186.4
[M+H-H2O]+ 374.06568 184.9
[M+HCOO]- 436.06662 205.8
[M+CH3COO]- 450.08227 200.3
[M+Na-2H]- 412.04309 192.5
[M]+ 391.06787 208.0
[M]- 391.06897 208.0
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.