CID 6857295

Glucosone bisthiosemicarbazone

Structural Information

Molecular Formula
C8H16N6O4S2
SMILES
C(C(C(C(C(=NNC(=S)N)/C=N\NC(=S)N)O)O)O)O
InChI
InChI=1S/C8H16N6O4S2/c9-7(19)13-11-1-3(12-14-8(10)20)5(17)6(18)4(16)2-15/h1,4-6,15-18H,2H2,(H3,9,13,19)(H3,10,14,20)/b11-1-,12-3?
InChIKey
ICDCYFFVTJNCPI-WHXOOMLWSA-N
Compound name
[[(1Z)-1-(carbamothioylhydrazinylidene)-3,4,5,6-tetrahydroxyhexan-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.06744 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07472 166.2
[M+Na]+ 347.05666 162.4
[M+NH4]+ 342.10126 167.1
[M+K]+ 363.03060 162.2
[M-H]- 323.06016 162.1
[M+Na-2H]- 345.04211 162.4
[M]+ 324.06689 163.8
[M]- 324.06799 163.8
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.