CID 106657

65291-39-6

Structural Information

Molecular Formula
C40H72O12S3Sn
SMILES
CCCCOC(=O)CC(C(=O)OCCCC)S[Sn](CCCC)(SC(CC(=O)OCCCC)C(=O)OCCCC)SC(CC(=O)OCCCC)C(=O)OCCCC
InChI
InChI=1S/3C12H22O4S.C4H9.Sn/c3*1-3-5-7-15-11(13)9-10(17)12(14)16-8-6-4-2;1-3-4-2;/h3*10,17H,3-9H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
VVDYYHAMBNQVRC-UHFFFAOYSA-K
Compound name
dibutyl 2-[butyl-bis[(1,4-dibutoxy-1,4-dioxobutan-2-yl)sulfanyl]stannyl]sulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

960.3208 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 961.32808 317.6
[M+Na]+ 983.31002 323.5
[M+NH4]+ 978.35462 328.5
[M+K]+ 999.28396 320.5
[M-H]- 959.31352 313.7
[M+Na-2H]- 981.29547 317.2
[M]+ 960.32025 319.7
[M]- 960.32135 319.7
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.