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 300.3
[M+Na]+ 807.29568 302.8
[M-H]- 783.29918 290.4
[M+NH4]+ 802.34028 311.7
[M+K]+ 823.26962 308.2
[M+H-H2O]+ 767.30372 300.6
[M+HCOO]- 829.30466 295.9
[M+CH3COO]- 843.32031 274.7
[M+Na-2H]- 805.28113 281.2
[M]+ 784.30591 303.1
[M]- 784.30701 303.1
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.