CID 9589153

Glucosone bis(4-methyl)thiosemicarbazone

Structural Information

Molecular Formula
C10H20N6O4S2
SMILES
CNC(=S)N/N=C\C(=N/NC(=S)NC)\[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C10H20N6O4S2/c1-11-9(21)15-13-3-5(14-16-10(22)12-2)7(19)8(20)6(18)4-17/h3,6-8,17-20H,4H2,1-2H3,(H2,11,15,21)(H2,12,16,22)/b13-3-,14-5+/t6-,7-,8-/m1/s1
InChIKey
WFAILRAYZICMMM-XDQZORFZSA-N
Compound name
1-methyl-3-[(E)-[(1Z,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-(methylcarbamothioylhydrazinylidene)hexan-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.09875 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10603 175.1
[M+Na]+ 375.08797 171.5
[M+NH4]+ 370.13257 176.0
[M+K]+ 391.06191 170.4
[M-H]- 351.09147 171.3
[M+Na-2H]- 373.07342 171.8
[M]+ 352.09820 172.9
[M]- 352.09930 172.9
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.