CID 92024143

84635-58-5

Structural Information

Molecular Formula
C15H23NO8S
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1SC)COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H23NO8S/c1-7(17)16-12-14(23-10(4)20)13(22-9(3)19)11(6-21-8(2)18)24-15(12)25-5/h11-15H,6H2,1-5H3,(H,16,17)/t11-,12-,13+,14-,15+/m1/s1
InChIKey
PKJYXAFUZVFJIM-QMIVOQANSA-N
Compound name
[(2R,3R,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-methylsulfanyloxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.11444 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12172 183.1
[M+Na]+ 400.10366 186.4
[M-H]- 376.10716 186.4
[M+NH4]+ 395.14826 193.8
[M+K]+ 416.07760 187.9
[M+H-H2O]+ 360.11170 176.3
[M+HCOO]- 422.11264 194.5
[M+CH3COO]- 436.12829 219.2
[M+Na-2H]- 398.08911 178.6
[M]+ 377.11389 190.5
[M]- 377.11499 190.5
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.