CID 112208

70495-39-5

Structural Information

Molecular Formula
C25H28O6
SMILES
CC(COC1=CC=CC=C1CC2=CC=CC=C2OCC(C)OC(=O)C=C)OC(=O)C=C
InChI
InChI=1S/C25H28O6/c1-5-24(26)30-18(3)16-28-22-13-9-7-11-20(22)15-21-12-8-10-14-23(21)29-17-19(4)31-25(27)6-2/h5-14,18-19H,1-2,15-17H2,3-4H3
InChIKey
LVNXEJDNUXFDEC-UHFFFAOYSA-N
Compound name
1-[2-[[2-(2-prop-2-enoyloxypropoxy)phenyl]methyl]phenoxy]propan-2-yl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1886 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19588 201.7
[M+Na]+ 447.17782 211.9
[M+NH4]+ 442.22242 205.3
[M+K]+ 463.15176 206.3
[M-H]- 423.18132 202.6
[M+Na-2H]- 445.16327 205.7
[M]+ 424.18805 203.0
[M]- 424.18915 203.0
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.