CID 44148294

74162-83-7

Structural Information

Molecular Formula
C56H110O6S3Sn
SMILES
CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(SCC(=O)OCCCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/3C16H32O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;1-3-5-7-8-6-4-2;/h3*19H,2-15H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3
InChIKey
RMIMQTAMIKTZCC-UHFFFAOYSA-K
Compound name
tetradecyl 2-[octyl-bis[(2-oxo-2-tetradecoxyethyl)sulfanyl]stannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1094.6487 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1095.655976 372.6
[M+Na]+ 1117.637918 368.3
[M-H]- 1093.641424 345.7
[M+NH4]+ 1112.682523 376.1
[M+K]+ 1133.611858 382.4
[M+H-H2O]+ 1077.645960 368.3
[M+HCOO]- 1139.646901 365.2
[M+CH3COO]- 1153.662551 325.2
[M+Na-2H]- 1115.623366 342.9
[M]+ 1094.64815142 376.3
[M]- 1094.64924858 376.3
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.