CID 5271708

[(2r,3s,4r,5r,6r)-5-acetamido-6-(4-acetamidophenoxy)-3,4-dihydroxy-tetrahydropyran-2-yl] hydrogen sulfate

Structural Information

Molecular Formula
C15H20N2O10S
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)NC(=O)C)OS(=O)(=O)O)O)O
InChI
InChI=1S/C15H20N2O10S/c1-7(18)16-9-3-5-10(6-4-9)25-14-11(17-8(2)19)12(20)13(21)15(26-14)27-28(22,23)24/h3-6,11-15,20-21H,1-2H3,(H,16,18)(H,17,19)(H,22,23,24)/t11-,12-,13+,14-,15-/m1/s1
InChIKey
KMFBVHCYBKRWLE-UXXRCYHCSA-N
Compound name
[(2R,3S,4R,5R,6R)-5-acetamido-6-(4-acetamidophenoxy)-3,4-dihydroxyoxan-2-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.08386 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.09114 186.7
[M+Na]+ 443.07308 189.3
[M-H]- 419.07658 189.3
[M+NH4]+ 438.11768 192.4
[M+K]+ 459.04702 189.6
[M+H-H2O]+ 403.08112 179.0
[M+HCOO]- 465.08206 196.7
[M+CH3COO]- 479.09771 221.4
[M+Na-2H]- 441.05853 187.8
[M]+ 420.08331 189.3
[M]- 420.08441 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.