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

1
Patents

414.16785 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.175126 199.7
[M+Na]+ 437.157068 205.2
[M-H]- 413.160574 208.3
[M+NH4]+ 432.201673 209.9
[M+K]+ 453.131008 205.9
[M+H-H2O]+ 397.165110 192.1
[M+HCOO]- 459.166051 216.8
[M+CH3COO]- 473.181701 227.0
[M+Na-2H]- 435.142516 198.2
[M]+ 414.16730142 209.4
[M]- 414.16839858 209.4
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