CID 15507916

62812-42-4

Structural Information

Molecular Formula
C19H22O9S
SMILES
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)SC2=CC=CC=C2)C(=O)OC)OC(=O)C
InChI
InChI=1S/C19H22O9S/c1-10(20)25-14-15(26-11(2)21)17(27-12(3)22)19(28-16(14)18(23)24-4)29-13-8-6-5-7-9-13/h5-9,14-17,19H,1-4H3/t14-,15-,16-,17+,19-/m0/s1
InChIKey
AXUXNCRKZCBMKR-CWLGOENISA-N
Compound name
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-phenylsulfanyloxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.09845 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.10573 193.1
[M+Na]+ 449.08767 200.6
[M+NH4]+ 444.13227 196.0
[M+K]+ 465.06161 197.6
[M-H]- 425.09117 193.5
[M+Na-2H]- 447.07312 193.7
[M]+ 426.09790 194.2
[M]- 426.09900 194.2
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.