CID 139597048

Ns00095143

Structural Information

Molecular Formula
C39H74O17
SMILES
CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC(COC(COC(CO)O/C=C/CO)O/C=C/CO)O/C=C/CO
InChI
InChI=1S/C39H74O17/c1-2-3-4-5-6-7-8-9-16-44-20-21-45-22-23-46-24-25-47-26-27-48-28-29-49-30-31-50-32-33-54-38(52-18-11-14-41)35-56-39(53-19-12-15-42)36-55-37(34-43)51-17-10-13-40/h10-12,17-19,37-43H,2-9,13-16,20-36H2,1H3/b17-10+,18-11+,19-12+
InChIKey
SEWFNCXOXGOIKA-QUKKLUBMSA-N
Compound name
(E)-3-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]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

814.4926 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 815.499876 309.1
[M+Na]+ 837.481818 303.9
[M-H]- 813.485324 300.3
[M+NH4]+ 832.526423 312.9
[M+K]+ 853.455758 305.1
[M+H-H2O]+ 797.489860 306.4
[M+HCOO]- 859.490801 304.0
[M+CH3COO]- 873.506451 281.3
[M+Na-2H]- 835.467266 283.7
[M]+ 814.49205142 310.8
[M]- 814.49314858 310.8
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.