CID 6436670

59118-79-5

Structural Information

Molecular Formula
C61H114O6S3Sn
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCCCC/C=C\CCCCCCCC)(SCCOC(=O)CCCCCCC/C=C\CCCCCCCC)C
InChI
InChI=1S/3C20H38O2S.CH3.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;;/h3*9-10,23H,2-8,11-19H2,1H3;1H3;/q;;;;+3/p-3/b3*10-9-;;
InChIKey
ORBWXKGSLBJLGS-BQGNPDQISA-K
Compound name
2-[methyl-bis[2-[(Z)-octadec-9-enoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

1158.6799 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1159.6872 365.0
[M+Na]+ 1181.6691 371.2
[M+NH4]+ 1176.7137 368.1
[M+K]+ 1197.6431 368.8
[M-H]- 1157.6726 345.9
[M+Na-2H]- 1179.6546 356.8
[M]+ 1158.6794 362.5
[M]- 1158.6804 362.5
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