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 238.0
[M+Na]+ 569.27798 236.9
[M-H]- 545.28148 231.4
[M+NH4]+ 564.32258 236.4
[M+K]+ 585.25192 230.7
[M+H-H2O]+ 529.28602 238.3
[M+HCOO]- 591.28696 255.3
[M+CH3COO]- 605.30261 239.4
[M+Na-2H]- 567.26343 219.7
[M]+ 546.28821 236.4
[M]- 546.28931 236.4
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.