CID 9576705

70969-63-0

Structural Information

Molecular Formula
C44H88O4S2Sn
SMILES
CCCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCCCCCCC
InChI
InChI=1S/2C18H36O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-18(19)15-17-21;2*1-3-4-2;/h2*21H,2-17H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
JAGXWYFLJYKUCO-UHFFFAOYSA-L
Compound name
pentadecyl 3-[dibutyl-(3-oxo-3-pentadecoxypropyl)sulfanylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

864.5146 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 865.52188 327.4
[M+Na]+ 887.50382 327.1
[M-H]- 863.50732 303.8
[M+NH4]+ 882.54842 328.8
[M+K]+ 903.47776 335.7
[M+H-H2O]+ 847.51186 323.6
[M+HCOO]- 909.51280 327.1
[M+CH3COO]- 923.52845 294.4
[M+Na-2H]- 885.48927 302.3
[M]+ 864.51405 328.6
[M]- 864.51515 328.6
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.