CID 139595379

Ns00095141

Structural Information

Molecular Formula
C35H66O15
SMILES
CCCCCCCCCCOCCOCCOCCOCCOCCOC(COC(COC(CO)O/C=C/CO)O/C=C/CO)O/C=C/CO
InChI
InChI=1S/C35H66O15/c1-2-3-4-5-6-7-8-9-16-40-20-21-41-22-23-42-24-25-43-26-27-44-28-29-48-34(46-18-11-14-37)31-50-35(47-19-12-15-38)32-49-33(30-39)45-17-10-13-36/h10-12,17-19,33-39H,2-9,13-16,20-32H2,1H3/b17-10+,18-11+,19-12+
InChIKey
IEIZWXQUNYNVTH-QUKKLUBMSA-N
Compound name
(E)-3-[1-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-[(E)-3-hydroxyprop-1-enoxy]ethoxy]-2-[(E)-3-hydroxyprop-1-enoxy]ethoxy]-2-hydroxyethoxy]prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

726.4402 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 727.447476 285.4
[M+Na]+ 749.429418 282.0
[M-H]- 725.432924 277.0
[M+NH4]+ 744.474023 287.9
[M+K]+ 765.403358 281.8
[M+H-H2O]+ 709.437460 283.0
[M+HCOO]- 771.438401 282.3
[M+CH3COO]- 785.454051 268.0
[M+Na-2H]- 747.414866 262.7
[M]+ 726.43965142 284.9
[M]- 726.44074858 284.9
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.