CID 73834301

2-(4-allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanol

Structural Information

Molecular Formula

C₂₂H₂₈O₇

SMILES

CC(C(C1=CC(=C(C(=C1)OC)OC)O)O)OC2=C(C=C(C=C2OC)CC=C)OC

InChI

InChI=1S/C22H28O7/c1-7-8-14-9-17(25-3)22(18(10-14)26-4)29-13(2)20(24)15-11-16(23)21(28-6)19(12-15)27-5/h7,9-13,20,23-24H,1,8H2,2-6H3

InChIKey

FIUKDYRAJAEJPH-UHFFFAOYSA-N

Compound name

5-[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2,3-dimethoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 404.1835 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]+	405.190776	194.7
[M+Na]+	427.172718	200.9
[M-H]-	403.176224	199.1
[M+NH4]+	422.217323	204.5
[M+K]+	443.146658	199.3
[M+H-H2O]+	387.180760	186.2
[M+HCOO]-	449.181701	212.7
[M+CH3COO]-	463.197351	224.1
[M+Na-2H]-	425.158166	191.5
[M]+	404.18295142	203.4
[M]-	404.18404858	203.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe