CID 24066897

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

Structural Information

Molecular Formula
C22H28O7
SMILES
CC(C(C1=CC(=C(C(=C1)OC)O)OC)O)OC2=C(C=C(C=C2OC)CC=C)OC
InChI
InChI=1S/C22H28O7/c1-7-8-14-9-18(27-5)22(19(10-14)28-6)29-13(2)20(23)15-11-16(25-3)21(24)17(12-15)26-4/h7,9-13,20,23-24H,1,8H2,2-6H3
InChIKey
JJVOBQHHQSQIMW-UHFFFAOYSA-N
Compound name
4-[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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

literature stripe

Patent stripe

patents stripe