CID 10363200

Chembl242016

Structural Information

Molecular Formula
C20H16BrN3O
SMILES
COC1=CC=CC(=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C20H16BrN3O/c1-25-17-4-2-3-15(11-17)20-22-18-9-10-24(13-19(18)23-20)12-14-5-7-16(21)8-6-14/h2-11,13H,12H2,1H3
InChIKey
PEBZAZAARWNKJL-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

393.04767 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.05495 186.4
[M+Na]+ 416.03689 198.7
[M-H]- 392.04039 196.0
[M+NH4]+ 411.08149 200.4
[M+K]+ 432.01083 185.6
[M+H-H2O]+ 376.04493 183.0
[M+HCOO]- 438.04587 204.4
[M+CH3COO]- 452.06152 198.7
[M+Na-2H]- 414.02234 191.3
[M]+ 393.04712 207.1
[M]- 393.04822 207.1
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