CID 9576644

Dtxsid801132185

Structural Information

Molecular Formula
C32H60O8S2Sn
SMILES
CCCCOC(=O)CC(C(=O)OCCCC)S[Sn](CCCC)(CCCC)SC(CC(=O)OCCCC)C(=O)OCCCC
InChI
InChI=1S/2C12H22O4S.2C4H9.Sn/c2*1-3-5-7-15-11(13)9-10(17)12(14)16-8-6-4-2;2*1-3-4-2;/h2*10,17H,3-9H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
VXTLEAISONEAJR-UHFFFAOYSA-L
Compound name
dibutyl 2-[dibutyl-(1,4-dibutoxy-1,4-dioxobutan-2-yl)sulfanylstannyl]sulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

756.27515 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.28243 293.5
[M+Na]+ 779.26437 296.3
[M-H]- 755.26787 284.3
[M+NH4]+ 774.30897 304.9
[M+K]+ 795.23831 300.9
[M+H-H2O]+ 739.27241 294.0
[M+HCOO]- 801.27335 289.9
[M+CH3COO]- 815.28900 269.5
[M+Na-2H]- 777.24982 275.2
[M]+ 756.27460 296.2
[M]- 756.27570 296.2
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.