CID 9576152

Glucose thiosemicarbazone

Structural Information

Molecular Formula
C7H15N3O5S
SMILES
C([C@H]([C@H]([C@@H]([C@H](/C=N/NC(=S)N)O)O)O)O)O
InChI
InChI=1S/C7H15N3O5S/c8-7(16)10-9-1-3(12)5(14)6(15)4(13)2-11/h1,3-6,11-15H,2H2,(H3,8,10,16)/b9-1+/t3-,4+,5+,6+/m0/s1
InChIKey
OMQATPITDSAIFV-IEEROJAVSA-N
Compound name
[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

253.07324 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08052 154.7
[M+Na]+ 276.06246 155.4
[M-H]- 252.06596 148.0
[M+NH4]+ 271.10706 166.9
[M+K]+ 292.03640 153.8
[M+H-H2O]+ 236.07050 147.9
[M+HCOO]- 298.07144 165.0
[M+CH3COO]- 312.08709 191.8
[M+Na-2H]- 274.04791 150.7
[M]+ 253.07269 149.4
[M]- 253.07379 149.4
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

patents stripe