CID 115833

Methylenebis(4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)) acrylate

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
2
Annotation Hits

0
References

102
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 208.3
[M+Na]+ 479.16762 209.8
[M-H]- 455.17112 210.7
[M+NH4]+ 474.21222 214.3
[M+K]+ 495.14156 207.3
[M+H-H2O]+ 439.17566 198.7
[M+HCOO]- 501.17660 224.1
[M+CH3COO]- 515.19225 228.1
[M+Na-2H]- 477.15307 204.2
[M]+ 456.17785 214.1
[M]- 456.17895 214.1
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