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 165.6
[M+Na]+ 347.05666 163.7
[M-H]- 323.06016 159.7
[M+NH4]+ 342.10126 174.4
[M+K]+ 363.03060 160.3
[M+H-H2O]+ 307.06470 156.3
[M+HCOO]- 369.06564 173.2
[M+CH3COO]- 383.08129 215.6
[M+Na-2H]- 345.04211 161.8
[M]+ 324.06689 157.8
[M]- 324.06799 157.8
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.