CID 9978218

Chembl243752

Structural Information

Molecular Formula
C19H13BrClN3
SMILES
C1=CC(=CC=C1CN2C=CC3=NC(=NC3=C2)C4=CC=C(C=C4)Cl)Br
InChI
InChI=1S/C19H13BrClN3/c20-15-5-1-13(2-6-15)11-24-10-9-17-18(12-24)23-19(22-17)14-3-7-16(21)8-4-14/h1-10,12H,11H2
InChIKey
DRCBFMBTPVMMMK-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-(4-chlorophenyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

396.99814 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.00542 184.4
[M+Na]+ 419.98736 198.4
[M-H]- 395.99086 193.8
[M+NH4]+ 415.03196 199.3
[M+K]+ 435.96130 183.5
[M+H-H2O]+ 379.99540 181.4
[M+HCOO]- 441.99634 198.1
[M+CH3COO]- 456.01199 197.0
[M+Na-2H]- 417.97281 189.4
[M]+ 396.99759 205.7
[M]- 396.99869 205.7
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