CID 3007443

Chembl441772

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

CCOC1=CC=CC=C1C(=C)N2C=CN=C2

InChI

InChI=1S/C13H14N2O/c1-3-16-13-7-5-4-6-12(13)11(2)15-9-8-14-10-15/h4-10H,2-3H2,1H3

InChIKey

GXCNCZXLVNYQKL-UHFFFAOYSA-N

Compound name

1-[1-(2-ethoxyphenyl)ethenyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 214.11061 Da
Monoisotopic Mass: 2.5
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]+	215.11789	147.9
[M+Na]+	237.09983	155.8
[M-H]-	213.10333	152.0
[M+NH4]+	232.14443	165.4
[M+K]+	253.07377	152.5
[M+H-H2O]+	197.10787	139.4
[M+HCOO]-	259.10881	170.2
[M+CH3COO]-	273.12446	187.4
[M+Na-2H]-	235.08528	152.0
[M]+	214.11006	148.9
[M]-	214.11116	148.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.