CID 185186

92662-85-6

Structural Information

Molecular Formula

C₂₀H₂₀O₄

SMILES

CC(=C)C1CC2=CC(=C(C=C2O1)O)C3CC4=C(C=C(C=C4)O)OC3

InChI

InChI=1S/C20H20O4/c1-11(2)18-7-13-6-16(17(22)9-20(13)24-18)14-5-12-3-4-15(21)8-19(12)23-10-14/h3-4,6,8-9,14,18,21-22H,1,5,7,10H2,2H3

InChIKey

QSBNBPUPUBDYQE-UHFFFAOYSA-N

Compound name

3-(6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 324.13617 Da
Monoisotopic Mass: 4.3
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]+	325.143446	175.6
[M+Na]+	347.125388	182.8
[M-H]-	323.128894	182.9
[M+NH4]+	342.169993	189.7
[M+K]+	363.099328	179.6
[M+H-H2O]+	307.133430	169.4
[M+HCOO]-	369.134371	188.8
[M+CH3COO]-	383.150021	186.1
[M+Na-2H]-	345.110836	176.7
[M]+	324.13562142	174.9
[M]-	324.13671858	174.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.