CID 9869148

293751-01-6

Structural Information

Molecular Formula
C18H26O10S2
SMILES
CC1(O[C@@H]2[C@@H](C(O[C@@H]2O1)(COS(=O)(=O)C)COS(=O)(=O)C)OCC3=CC=CC=C3)C
InChI
InChI=1S/C18H26O10S2/c1-17(2)26-14-15(23-10-13-8-6-5-7-9-13)18(28-16(14)27-17,11-24-29(3,19)20)12-25-30(4,21)22/h5-9,14-16H,10-12H2,1-4H3/t14-,15+,16+/m1/s1
InChIKey
REPCZRIZHPZZRA-PMPSAXMXSA-N
Compound name
[(3aR,6S,6aR)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

466.09674 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.10402 198.8
[M+Na]+ 489.08596 204.1
[M+NH4]+ 484.13056 204.6
[M+K]+ 505.05990 200.3
[M-H]- 465.08946 199.9
[M+Na-2H]- 487.07141 201.0
[M]+ 466.09619 200.9
[M]- 466.09729 200.9
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

patents stripe