CID 9576644

13497-25-1

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 277.4
[M+Na]+ 779.26437 282.7
[M+NH4]+ 774.30897 284.5
[M+K]+ 795.23831 278.4
[M-H]- 755.26787 269.7
[M+Na-2H]- 777.24982 278.1
[M]+ 756.27460 277.2
[M]- 756.27570 277.2
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.