CID 44149340

2-propenoic acid, 2-methyl-, methylenebis(2,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)) ester

Structural Information

Molecular Formula
C27H32O8
SMILES
CC(=C)C(=O)OCC(COC1=CC=CC=C1CC2=CC=CC=C2OCC(COC(=O)C(=C)C)O)O
InChI
InChI=1S/C27H32O8/c1-18(2)26(30)34-16-22(28)14-32-24-11-7-5-9-20(24)13-21-10-6-8-12-25(21)33-15-23(29)17-35-27(31)19(3)4/h5-12,22-23,28-29H,1,3,13-17H2,2,4H3
InChIKey
JHOFXHJVMQJPRB-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-[2-[[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]methyl]phenoxy]propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.20972 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.21700 216.1
[M+Na]+ 507.19894 216.2
[M-H]- 483.20244 218.2
[M+NH4]+ 502.24354 220.7
[M+K]+ 523.17288 214.7
[M+H-H2O]+ 467.20698 206.7
[M+HCOO]- 529.20792 229.3
[M+CH3COO]- 543.22357 235.7
[M+Na-2H]- 505.18439 208.8
[M]+ 484.20917 221.5
[M]- 484.21027 221.5
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