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 174.9
[M+Na]+ 375.08797 172.2
[M-H]- 351.09147 169.8
[M+NH4]+ 370.13257 183.3
[M+K]+ 391.06191 169.1
[M+H-H2O]+ 335.09601 165.4
[M+HCOO]- 397.09695 183.0
[M+CH3COO]- 411.11260 220.6
[M+Na-2H]- 373.07342 172.2
[M]+ 352.09820 169.5
[M]- 352.09930 169.5
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.