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]+ 1095.6560 372.6
[M+Na]+ 1117.6379 368.3
[M-H]- 1093.6414 345.7
[M+NH4]+ 1112.6825 376.1
[M+K]+ 1133.6119 382.4
[M+H-H2O]+ 1077.6460 368.3
[M+HCOO]- 1139.6469 365.2
[M+CH3COO]- 1153.6626 325.2
[M+Na-2H]- 1115.6234 342.9
[M]+ 1094.6482 376.3
[M]- 1094.6492 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.