CID 44145620

83833-24-3

Structural Information

Molecular Formula
C60H118O6S3Sn
SMILES
CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/3C16H32O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;1-3-5-7-9-11-12-10-8-6-4-2;/h3*19H,2-15H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3
InChIKey
DLGNIWSPLHRNFI-UHFFFAOYSA-K
Compound name
tetradecyl 2-[dodecyl-bis[(2-oxo-2-tetradecoxyethyl)sulfanyl]stannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1150.7113 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1151.7186 383.7
[M+Na]+ 1173.7005 379.0
[M-H]- 1149.7040 355.6
[M+NH4]+ 1168.7451 387.3
[M+K]+ 1189.6745 394.4
[M+H-H2O]+ 1133.7086 379.2
[M+HCOO]- 1195.7095 375.1
[M+CH3COO]- 1209.7252 333.8
[M+Na-2H]- 1171.6860 352.7
[M]+ 1150.7108 388.0
[M]- 1150.7118 388.0
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.