CID 16077341

Chembl228872

Structural Information

Molecular Formula
C20H16BrN3
SMILES
CC1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C20H16BrN3/c1-14-2-6-16(7-3-14)20-22-18-10-11-24(13-19(18)23-20)12-15-4-8-17(21)9-5-15/h2-11,13H,12H2,1H3
InChIKey
XAUZUYVAWDTWEY-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-(4-methylphenyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

377.05276 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.06004 183.8
[M+Na]+ 400.04198 196.4
[M-H]- 376.04548 193.4
[M+NH4]+ 395.08658 198.5
[M+K]+ 416.01592 182.6
[M+H-H2O]+ 360.05002 180.6
[M+HCOO]- 422.05096 201.7
[M+CH3COO]- 436.06661 196.3
[M+Na-2H]- 398.02743 188.6
[M]+ 377.05221 203.3
[M]- 377.05331 203.3
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