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
4
Annotation Hits

0
References

1
Patents

784.30646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 785.313736 300.3
[M+Na]+ 807.295678 302.8
[M-H]- 783.299184 290.4
[M+NH4]+ 802.340283 311.7
[M+K]+ 823.269618 308.2
[M+H-H2O]+ 767.303720 300.6
[M+HCOO]- 829.304661 295.9
[M+CH3COO]- 843.320311 274.7
[M+Na-2H]- 805.281126 281.2
[M]+ 784.30591142 303.1
[M]- 784.30700858 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

patents stripe