CID 10402297

Demethoxyegonol

Structural Information

Molecular Formula

C₁₈H₁₆O₄

SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC4=C(O3)C=CC(=C4)CCCO

InChI

InChI=1S/C18H16O4/c19-7-1-2-12-3-5-15-14(8-12)10-17(22-15)13-4-6-16-18(9-13)21-11-20-16/h3-6,8-10,19H,1-2,7,11H2

InChIKey

YQEPMZLWYOAQNI-UHFFFAOYSA-N

Compound name

3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 296.10486 Da
Monoisotopic Mass: 3.7
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]+	297.112136	164.8
[M+Na]+	319.094078	174.8
[M-H]-	295.097584	175.0
[M+NH4]+	314.138683	181.3
[M+K]+	335.068018	173.5
[M+H-H2O]+	279.102120	160.2
[M+HCOO]-	341.103061	185.4
[M+CH3COO]-	355.118711	178.3
[M+Na-2H]-	317.079526	170.5
[M]+	296.10431142	171.5
[M]-	296.10540858	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe