CID 56927675

Pentostam

Structural Information

Molecular Formula
C12H18O15Sb2
SMILES
C([C@H]([C@@H]1[C@H]2[C@@H](O[Sb](O2)(O1)O[Sb]34O[C@@H]([C@H](O3)[C@@H](CO)O)[C@@H](O4)C(=O)O)C(=O)O)O)O
InChI
InChI=1S/2C6H9O7.O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2*2-5,7-8H,1H2,(H,12,13);;;/q2*-3;;2*+3/t2*2-,3-,4+,5-;;;/m11.../s1
InChIKey
MNNVVPGDXDZDBM-SYAJEJNSSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

930
References

4901
Patents

643.8722 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.87948 201.9
[M+Na]+ 666.86142 197.5
[M-H]- 642.86492 200.8
[M+NH4]+ 661.90602 202.2
[M+K]+ 682.83536 215.8
[M+H-H2O]+ 626.86946 199.6
[M+HCOO]- 688.87040 204.5
[M+CH3COO]- 702.88605 209.1
[M+Na-2H]- 664.84687 210.6
[M]+ 643.87165 197.8
[M]- 643.87275 197.8
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.