CID 10406442

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

Structural Information

Molecular Formula
C19H14BrN3
SMILES
C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C19H14BrN3/c20-16-8-6-14(7-9-16)12-23-11-10-17-18(13-23)22-19(21-17)15-4-2-1-3-5-15/h1-11,13H,12H2
InChIKey
BAONJJYITSLFLE-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-phenylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

36
Patents

363.0371 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.04438 178.7
[M+Na]+ 386.02632 191.0
[M-H]- 362.02982 188.1
[M+NH4]+ 381.07092 193.7
[M+K]+ 402.00026 177.4
[M+H-H2O]+ 346.03436 175.7
[M+HCOO]- 408.03530 197.0
[M+CH3COO]- 422.05095 191.4
[M+Na-2H]- 384.01177 184.9
[M]+ 363.03655 197.6
[M]- 363.03765 197.6
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