CID 71300708

105589-05-7

Structural Information

Molecular Formula
C49H80O8
SMILES
CCCCCCCCCCCCC(=O)OCCOCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOCCOC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C49H80O8/c1-5-7-9-11-13-15-17-19-21-23-25-47(50)56-41-37-52-35-39-54-45-31-27-43(28-32-45)49(3,4)44-29-33-46(34-30-44)55-40-36-53-38-42-57-48(51)26-24-22-20-18-16-14-12-10-8-6-2/h27-34H,5-26,35-42H2,1-4H3
InChIKey
GJILMYBSXISKJI-UHFFFAOYSA-N
Compound name
2-[2-[4-[2-[4-[2-(2-tridecanoyloxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

796.5853 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 797.59258 291.5
[M+Na]+ 819.57452 289.8
[M+NH4]+ 814.61912 291.8
[M+K]+ 835.54846 290.7
[M-H]- 795.57802 274.8
[M+Na-2H]- 817.55997 287.5
[M]+ 796.58475 287.4
[M]- 796.58585 287.4
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.