CID 9576625

63397-60-4

Structural Information

Molecular Formula
C34H64O8S2Sn
SMILES
CCCCOC(=O)CC[Sn](CCC(=O)OCCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/2C10H20O2S.2C7H13O2.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-3-5-6-9-7(8)4-2;/h2*9,13H,3-8H2,1-2H3;2*2-6H2,1H3;/q;;;;+2/p-2
InChIKey
GMQMYECSRQAAJP-UHFFFAOYSA-L
Compound name
butyl 3-[(3-butoxy-3-oxopropyl)-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]stannyl]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

784.30646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 785.31374 284.1
[M+Na]+ 807.29568 289.1
[M+NH4]+ 802.34028 291.1
[M+K]+ 823.26962 285.2
[M-H]- 783.29918 275.7
[M+Na-2H]- 805.28113 284.1
[M]+ 784.30591 283.8
[M]- 784.30701 283.8
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.