CID 154705017

Potassium (z)-2-(1-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)thio)pent-4-en-1-ylidene)hydrazine-1-sulfonate

Structural Information

Molecular Formula
C11H20N2O8S2
SMILES
C=CCC/C(=N/NS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C11H20N2O8S2/c1-2-3-4-7(12-13-23(18,19)20)22-11-10(17)9(16)8(15)6(5-14)21-11/h2,6,8-11,13-17H,1,3-5H2,(H,18,19,20)/b12-7-/t6-,8-,9+,10-,11+/m1/s1
InChIKey
WAUIOEAQHORRNE-IIPHORNXSA-N
Compound name
[(Z)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-4-enylideneamino]sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.0661 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07338 179.9
[M+Na]+ 395.05532 181.4
[M+NH4]+ 390.09992 181.1
[M+K]+ 411.02926 179.1
[M-H]- 371.05882 176.4
[M+Na-2H]- 393.04077 175.9
[M]+ 372.06555 179.1
[M]- 372.06665 179.1
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.