CID 53606

77234-71-0

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₂

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(CN3C=CN=C3)O

InChI

InChI=1S/C17H16N2O2/c20-17(12-19-11-10-18-13-19)14-6-8-16(9-7-14)21-15-4-2-1-3-5-15/h1-11,13,17,20H,12H2

InChIKey

JGJOCYKOFLNFKC-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-(4-phenoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 280.1212 Da
Monoisotopic Mass: 2.7
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]+	281.12848	163.8
[M+Na]+	303.11042	170.2
[M-H]-	279.11392	169.5
[M+NH4]+	298.15502	177.2
[M+K]+	319.08436	165.5
[M+H-H2O]+	263.11846	153.9
[M+HCOO]-	325.11940	184.5
[M+CH3COO]-	339.13505	174.7
[M+Na-2H]-	301.09587	167.6
[M]+	280.12065	163.7
[M]-	280.12175	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe