CID 10387070

Chembl244394

Structural Information

Molecular Formula
C23H16BrN3
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=NC4=CN(C=CC4=N3)CC5=CC=C(C=C5)Br
InChI
InChI=1S/C23H16BrN3/c24-18-10-8-16(9-11-18)14-27-13-12-21-22(15-27)26-23(25-21)20-7-3-5-17-4-1-2-6-19(17)20/h1-13,15H,14H2
InChIKey
JEZQKDRQFVEXFY-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

413.05276 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.06004 194.5
[M+Na]+ 436.04198 207.5
[M-H]- 412.04548 204.9
[M+NH4]+ 431.08658 208.3
[M+K]+ 452.01592 193.1
[M+H-H2O]+ 396.05002 190.8
[M+HCOO]- 458.05096 212.1
[M+CH3COO]- 472.06661 206.3
[M+Na-2H]- 434.02743 200.8
[M]+ 413.05221 214.5
[M]- 413.05331 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