CID 176929

Homoegonol

Structural Information

Molecular Formula

C₂₀H₂₂O₅

SMILES

COC1=C(C=C(C=C1)C2=CC3=C(O2)C(=CC(=C3)CCCO)OC)OC

InChI

InChI=1S/C20H22O5/c1-22-16-7-6-14(11-18(16)23-2)17-12-15-9-13(5-4-8-21)10-19(24-3)20(15)25-17/h6-7,9-12,21H,4-5,8H2,1-3H3

InChIKey

PFOARMALXZGCHY-UHFFFAOYSA-N

Compound name

3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 27725
Patents: 342.14673 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]+	343.15401	179.7
[M+Na]+	365.13595	189.6
[M-H]-	341.13945	187.9
[M+NH4]+	360.18055	194.7
[M+K]+	381.10989	187.1
[M+H-H2O]+	325.14399	172.4
[M+HCOO]-	387.14493	202.5
[M+CH3COO]-	401.16058	211.0
[M+Na-2H]-	363.12140	182.9
[M]+	342.14618	189.7
[M]-	342.14728	189.7

Literature stripe

literature stripe

Patent stripe

patents stripe