CID 131752365

Glucoconringiin

Structural Information

Molecular Formula
C11H21NO10S2
SMILES
CC(C)(C/C(=N\OS(=O)(=O)O)/SC1C(C(C(C(O1)CO)O)O)O)O
InChI
InChI=1S/C11H21NO10S2/c1-11(2,17)3-6(12-22-24(18,19)20)23-10-9(16)8(15)7(14)5(4-13)21-10/h5,7-10,13-17H,3-4H2,1-2H3,(H,18,19,20)/b12-6+
InChIKey
DYAQCRHEYVANDL-WUXMJOGZSA-N
Compound name
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-hydroxy-3-methyl-N-sulfooxybutanimidothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

391.0607 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.06798 178.0
[M+Na]+ 414.04992 179.0
[M-H]- 390.05342 173.2
[M+NH4]+ 409.09452 183.9
[M+K]+ 430.02386 176.9
[M+H-H2O]+ 374.05796 172.3
[M+HCOO]- 436.05890 177.8
[M+CH3COO]- 450.07455 206.7
[M+Na-2H]- 412.03537 179.6
[M]+ 391.06015 179.4
[M]- 391.06125 179.4
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.