CID 131751084

1-(2h-1,3-benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate

Structural Information

Molecular Formula
C23H26O7
SMILES
CC(C(C1=CC2=C(C=C1)OCO2)OC(=O)C)OC3=C(C=C(C=C3OC)CC=C)OC
InChI
InChI=1S/C23H26O7/c1-6-7-16-10-20(25-4)23(21(11-16)26-5)29-14(2)22(30-15(3)24)17-8-9-18-19(12-17)28-13-27-18/h6,8-12,14,22H,1,7,13H2,2-5H3
InChIKey
TXMPVOYUEWSAFV-UHFFFAOYSA-N
Compound name
[1-(1,3-benzodioxol-5-yl)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.16785 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17513 196.6
[M+Na]+ 437.15707 207.5
[M+NH4]+ 432.20167 201.4
[M+K]+ 453.13101 205.3
[M-H]- 413.16057 200.7
[M+Na-2H]- 435.14252 198.4
[M]+ 414.16730 199.1
[M]- 414.16840 199.1
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

No patent data available for this compound.