CID 44418343

Chembl374036

Structural Information

Molecular Formula

C₂₀H₁₅F₂N₃

SMILES

C1=CC=C(C=C1)CCN2C=CC3=NC(=NC3=C2)C4=C(C=CC=C4F)F

InChI

InChI=1S/C20H15F2N3/c21-15-7-4-8-16(22)19(15)20-23-17-10-12-25(13-18(17)24-20)11-9-14-5-2-1-3-6-14/h1-8,10,12-13H,9,11H2

InChIKey

AEYBZEFWDXSNAB-UHFFFAOYSA-N

Compound name

2-(2,6-difluorophenyl)-5-(2-phenylethyl)imidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 335.1234 Da
Monoisotopic Mass: 3.8
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]+	336.13068	179.0
[M+Na]+	358.11262	189.4
[M-H]-	334.11612	183.4
[M+NH4]+	353.15722	191.1
[M+K]+	374.08656	180.9
[M+H-H2O]+	318.12066	165.9
[M+HCOO]-	380.12160	196.7
[M+CH3COO]-	394.13725	189.1
[M+Na-2H]-	356.09807	181.7
[M]+	335.12285	177.9
[M]-	335.12395	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe