CID 90508

24448-20-2

Structural Information

Molecular Formula
C27H32O6
SMILES
CC(=C)C(=O)OCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOC(=O)C(=C)C
InChI
InChI=1S/C27H32O6/c1-19(2)25(28)32-17-15-30-23-11-7-21(8-12-23)27(5,6)22-9-13-24(14-10-22)31-16-18-33-26(29)20(3)4/h7-14H,1,3,15-18H2,2,4-6H3
InChIKey
VIYWVRIBDZTTMH-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

105
References

9113
Patents

452.21988 Da
Monoisotopic Mass

6.4
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

literature stripe

Patent stripe

patents stripe