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 189.1
[M+Na]+ 395.14652 195.2
[M-H]- 371.15002 196.7
[M+NH4]+ 390.19112 200.6
[M+K]+ 411.12046 194.9
[M+H-H2O]+ 355.15456 181.9
[M+HCOO]- 417.15550 206.0
[M+CH3COO]- 431.17115 217.0
[M+Na-2H]- 393.13197 189.1
[M]+ 372.15675 196.4
[M]- 372.15785 196.4
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

patents stripe