CID 115833

64448-68-6

Structural Information

Molecular Formula
C25H28O8
SMILES
C=CC(=O)OCC(COC1=CC=C(C=C1)CC2=CC=C(C=C2)OCC(COC(=O)C=C)O)O
InChI
InChI=1S/C25H28O8/c1-3-24(28)32-16-20(26)14-30-22-9-5-18(6-10-22)13-19-7-11-23(12-8-19)31-15-21(27)17-33-25(29)4-2/h3-12,20-21,26-27H,1-2,13-17H2
InChIKey
VAIGCMUJWUZYRJ-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-[4-[[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]methyl]phenoxy]propyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

456.1784 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18568 207.9
[M+Na]+ 479.16762 216.0
[M+NH4]+ 474.21222 209.6
[M+K]+ 495.14156 212.2
[M-H]- 455.17112 206.8
[M+Na-2H]- 477.15307 209.9
[M]+ 456.17785 208.1
[M]- 456.17895 208.1
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