CID 6437105

Butyltintris(2-oleyoyloxyethylmercaptide)

Structural Information

Molecular Formula
C64H120O6S3Sn
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCCCC/C=C/CCCCCCCC)(SCCOC(=O)CCCCCCC/C=C/CCCCCCCC)CCCC
InChI
InChI=1S/3C20H38O2S.C4H9.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;1-3-4-2;/h3*9-10,23H,2-8,11-19H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/b3*10-9+;;
InChIKey
KZNCWKWZCOKAJR-NVVRXOICSA-K
Compound name
2-[butyl-bis[2-[(E)-octadec-9-enoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (E)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1200.7269 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1201.7342 389.6
[M+Na]+ 1223.7161 386.0
[M-H]- 1199.7196 362.4
[M+NH4]+ 1218.7607 394.1
[M+K]+ 1239.6901 401.6
[M+H-H2O]+ 1183.7242 384.9
[M+HCOO]- 1245.7251 382.1
[M+CH3COO]- 1259.7408 339.9
[M+Na-2H]- 1221.7016 358.7
[M]+ 1200.7264 393.8
[M]- 1200.7274 393.8
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.