CID 3007453

Chembl29190

Structural Information

Molecular Formula

C₁₈H₁₆N₂O

SMILES

C=C(C1=CC=CC=C1OCC2=CC=CC=C2)N3C=CN=C3

InChI

InChI=1S/C18H16N2O/c1-15(20-12-11-19-14-20)17-9-5-6-10-18(17)21-13-16-7-3-2-4-8-16/h2-12,14H,1,13H2

InChIKey

POIKGFCPMLUKBS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 276.12625 Da
Monoisotopic Mass: 3.6
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]+	277.133526	164.5
[M+Na]+	299.115468	171.4
[M-H]-	275.118974	171.4
[M+NH4]+	294.160073	178.8
[M+K]+	315.089408	166.1
[M+H-H2O]+	259.123510	154.4
[M+HCOO]-	321.124451	186.3
[M+CH3COO]-	335.140101	175.8
[M+Na-2H]-	297.100916	168.1
[M]+	276.12570142	164.5
[M]-	276.12679858	164.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.