CID 9576211

65308-00-1

Structural Information

Molecular Formula
C42H82O8S4Sn2
SMILES
CCCC[Sn](CCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/2C10H20O2S.C6H10O4S2.4C4H9.2Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;7-5(3-11)9-1-2-10-6(8)4-12;4*1-3-4-2;;/h2*9,13H,3-8H2,1-2H3;11-12H,1-4H2;4*1,3-4H2,2H3;;/q;;;;;;;2*+2/p-4
InChIKey
MSRMZNJBZBNJRZ-UHFFFAOYSA-J
Compound name
6-methylheptyl 2-[dibutyl-[2-[2-[2-[dibutyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetyl]oxyethoxy]-2-oxoethyl]sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1082.2937 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1083.3010 325.5
[M+Na]+ 1105.2829 333.8
[M+NH4]+ 1100.3275 333.1
[M+K]+ 1121.2569 327.4
[M-H]- 1081.2864 315.2
[M+Na-2H]- 1103.2684 322.7
[M]+ 1082.2932 325.7
[M]- 1082.2942 325.7
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.