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

5
Patents

372.1573 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.164576 189.1
[M+Na]+ 395.146518 195.2
[M-H]- 371.150024 196.7
[M+NH4]+ 390.191123 200.6
[M+K]+ 411.120458 194.9
[M+H-H2O]+ 355.154560 181.9
[M+HCOO]- 417.155501 206.0
[M+CH3COO]- 431.171151 217.0
[M+Na-2H]- 393.131966 189.1
[M]+ 372.15675142 196.4
[M]- 372.15784858 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