CID 129908880

[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (e)-3-[3,4-bis(ethoxycarbonylperoxy)phenyl]prop-2-enoate

Structural Information

Molecular Formula
C35H48O10
SMILES
CCOC(=O)OOC1=C(C=C(C=C1)/C=C/C(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)OOC(=O)OCC
InChI
InChI=1S/C35H48O10/c1-8-39-34(37)44-42-31-21-19-30(25-32(31)43-45-35(38)40-9-2)20-22-33(36)41-24-23-29(7)18-12-17-28(6)16-11-15-27(5)14-10-13-26(3)4/h13,15,17,19-23,25H,8-12,14,16,18,24H2,1-7H3/b22-20+,27-15+,28-17+,29-23+
InChIKey
PUFFLOJHWQRRRN-DLSDXAGYSA-N
Compound name
[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (E)-3-[3,4-bis(ethoxycarbonylperoxy)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.32477 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.33205 243.7
[M+Na]+ 651.31399 254.9
[M-H]- 627.31749 247.0
[M+NH4]+ 646.35859 261.1
[M+K]+ 667.28793 251.4
[M+H-H2O]+ 611.32203 250.1
[M+HCOO]- 673.32297 249.6
[M+CH3COO]- 687.33862 262.9
[M+Na-2H]- 649.29944 234.1
[M]+ 628.32422 245.7
[M]- 628.32532 245.7
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.