CID 16077345

Chembl243540

Structural Information

Molecular Formula
C19H13BrIN3
SMILES
C1=CC(=CC(=C1)I)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C19H13BrIN3/c20-15-6-4-13(5-7-15)11-24-9-8-17-18(12-24)23-19(22-17)14-2-1-3-16(21)10-14/h1-10,12H,11H2
InChIKey
DRAGDMFNLVTCRT-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-(3-iodophenyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

488.93375 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.94103 181.7
[M+Na]+ 511.92297 187.6
[M-H]- 487.92647 183.9
[M+NH4]+ 506.96757 191.7
[M+K]+ 527.89691 179.9
[M+H-H2O]+ 471.93101 175.1
[M+HCOO]- 533.93195 195.2
[M+CH3COO]- 547.94760 190.2
[M+Na-2H]- 509.90842 176.8
[M]+ 488.93320 197.3
[M]- 488.93430 197.3
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