PubChemLite - Stibogluconate (C12H20O17Sb2)

Structural Information

Molecular Formula

SMILES

C([C@H]([C@@H]1[C@@H]([C@@H](O[Sb](=O)(O1)O[Sb]2(=O)O[C@@H]([C@@H]([C@@H](O2)C(=O)O)O)[C@@H](CO)O)C(=O)O)O)O)O

InChI

InChI=1S/2C6H10O7.3O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;/h2*2-5,7-8,10H,1H2,(H,12,13);;;;;/q2*-2;;;;2*+2/t2*2-,3-,4+,5-;;;;;/m11...../s1

InChIKey

PFOYFBYIHCVQGB-XCCFGPONSA-N

Compound name

(4R,5S,6R)-2-[[(4R,5S,6R)-4-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-oxo-1,3,2lambda5-dioxastibinan-2-yl]oxy]-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-oxo-1,3,2lambda5-dioxastibinane-4-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	678.88498	209.9
[M+Na]+	700.86692	206.4
[M-H]-	676.87042	205.1
[M+NH4]+	695.91152	208.5
[M+K]+	716.84086	204.4
[M+H-H2O]+	660.87496	202.9
[M+HCOO]-	722.87590	211.1
[M+CH3COO]-	736.89155	230.5
[M+Na-2H]-	698.85237	233.1
[M]+	677.87715	207.0
[M]-	677.87825	207.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

678.88498

209.9

[M+Na]+

700.86692

206.4

[M-H]-

676.87042

205.1

[M+NH4]+

695.91152

208.5

[M+K]+

716.84086

204.4

[M+H-H2O]+

660.87496

202.9

[M+HCOO]-

722.87590

211.1

[M+CH3COO]-

736.89155

230.5

[M+Na-2H]-

698.85237

233.1

[M]+

677.87715

207.0

[M]-

677.87825

207.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Stibogluconate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe