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

0
Patents

404.1835 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19078 194.7
[M+Na]+ 427.17272 200.9
[M-H]- 403.17622 199.1
[M+NH4]+ 422.21732 204.5
[M+K]+ 443.14666 199.3
[M+H-H2O]+ 387.18076 186.2
[M+HCOO]- 449.18170 212.7
[M+CH3COO]- 463.19735 224.1
[M+Na-2H]- 425.15817 191.5
[M]+ 404.18295 203.4
[M]- 404.18405 203.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.