CID 10067873

2-(4-allyl-2,6-dimethoxyphenoxy)-1-(3,4-methylenedioxyphenyl)-1-propanol

Structural Information

Molecular Formula
C21H24O6
SMILES
CC(C(C1=CC2=C(C=C1)OCO2)O)OC3=C(C=C(C=C3OC)CC=C)OC
InChI
InChI=1S/C21H24O6/c1-5-6-14-9-18(23-3)21(19(10-14)24-4)27-13(2)20(22)15-7-8-16-17(11-15)26-12-25-16/h5,7-11,13,20,22H,1,6,12H2,2-4H3
InChIKey
RRMZKOOCNBRGQT-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

372.1573 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16458 187.3
[M+Na]+ 395.14652 198.9
[M+NH4]+ 390.19112 193.1
[M+K]+ 411.12046 196.1
[M-H]- 371.15002 191.9
[M+Na-2H]- 393.13197 189.8
[M]+ 372.15675 190.1
[M]- 372.15785 190.1
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

patents stripe