CID 44418306

Chembl425108

Structural Information

Molecular Formula
C19H14BrN3
SMILES
C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=CC=C4Br
InChI
InChI=1S/C19H14BrN3/c20-16-9-5-4-8-15(16)12-23-11-10-17-18(13-23)22-19(21-17)14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKey
USAPMPZUMOIPTN-UHFFFAOYSA-N
Compound name
5-[(2-bromophenyl)methyl]-2-phenylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.