CID 62243

Einecs 267-903-1

Structural Information

Molecular Formula
C27H32O6
SMILES
CC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(C)OC(=O)C=C)OC(=O)C=C
InChI
InChI=1S/C27H32O6/c1-7-25(28)32-19(3)17-30-23-13-9-21(10-14-23)27(5,6)22-11-15-24(16-12-22)31-18-20(4)33-26(29)8-2/h7-16,19-20H,1-2,17-18H2,3-6H3
InChIKey
WQMJBYIEWDAFJE-UHFFFAOYSA-N
Compound name
1-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

452.21988 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.22716 210.4
[M+Na]+ 475.20910 212.9
[M-H]- 451.21260 215.6
[M+NH4]+ 470.25370 218.4
[M+K]+ 491.18304 210.6
[M+H-H2O]+ 435.21714 201.3
[M+HCOO]- 497.21808 226.7
[M+CH3COO]- 511.23373 234.4
[M+Na-2H]- 473.19455 207.1
[M]+ 452.21933 217.5
[M]- 452.22043 217.5
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