CID 3085029

53026-67-8

Structural Information

Molecular Formula
C23H46O14
SMILES
COC1[C@@H]([C@H]([C@@H]([C@H](O1)COCCOCCO)OCCOCCO)OCCOCCO)OCCOCCO
InChI
InChI=1S/C23H46O14/c1-28-23-22(36-17-14-32-9-5-27)21(35-16-13-31-8-4-26)20(34-15-12-30-7-3-25)19(37-23)18-33-11-10-29-6-2-24/h19-27H,2-18H2,1H3/t19-,20-,21+,22-,23?/m1/s1
InChIKey
AOTQEWQIODBEAU-HZQGQDIUSA-N
Compound name
2-[2-[[(2R,3R,4S,5R)-3,4,5-tris[2-(2-hydroxyethoxy)ethoxy]-6-methoxyoxan-2-yl]methoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

546.28876 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.29604 240.6
[M+Na]+ 569.27798 237.9
[M+NH4]+ 564.32258 239.2
[M+K]+ 585.25192 236.8
[M-H]- 545.28148 231.3
[M+Na-2H]- 567.26343 241.2
[M]+ 546.28821 237.3
[M]- 546.28931 237.3
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.