CID 49768209

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

Structural Information

Molecular Formula
C20H16BrN3
SMILES
CC1=C2C(=NC(=N2)C3=CC=CC=C3)C=CN1CC4=CC=C(C=C4)Br
InChI
InChI=1S/C20H16BrN3/c1-14-19-18(22-20(23-19)16-5-3-2-4-6-16)11-12-24(14)13-15-7-9-17(21)10-8-15/h2-12H,13H2,1H3
InChIKey
DLHYTVGMWYKQSX-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-4-methyl-2-phenylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.