CID 22833324

Advastab tm 181s

Structural Information

Molecular Formula
C22H44O4S2Sn
SMILES
CC(C)CCCCCOC(=O)CS[Sn](C)(C)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2
InChIKey
IRFPIPNMASANJY-UHFFFAOYSA-L
Compound name
6-methylheptyl 2-[dimethyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

567
Patents

556.1703 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.17758 234.0
[M+Na]+ 579.15952 232.0
[M-H]- 555.16302 230.0
[M+NH4]+ 574.20412 256.0
[M+K]+ 595.13346 227.4
[M+H-H2O]+ 539.16756 225.1
[M+HCOO]- 601.16850 254.5
[M+CH3COO]- 615.18415 236.9
[M+Na-2H]- 577.14497 223.4
[M]+ 556.16975 245.2
[M]- 556.17085 245.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe