CID 10454267

Chembl219200

Structural Information

Molecular Formula

C₁₉H₁₄IN₃

SMILES

C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)I

InChI

InChI=1S/C19H14IN3/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

HERRJNYYLXGIML-UHFFFAOYSA-N

Compound name

5-[(4-iodophenyl)methyl]-2-phenylimidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 411.02325 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	412.03053	170.2
[M+Na]+	434.01247	172.7
[M-H]-	410.01597	169.4
[M+NH4]+	429.05707	178.8
[M+K]+	449.98641	171.3
[M+H-H2O]+	394.02051	155.8
[M+HCOO]-	456.02145	185.4
[M+CH3COO]-	470.03710	177.2
[M+Na-2H]-	431.99792	164.7
[M]+	411.02270	167.7
[M]-	411.02380	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe