CID 16684316

Butyltris(docosanoyloxy)stannane

Structural Information

Molecular Formula
C70H138O6Sn
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/3C22H44O2.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-3-4-2;/h3*2-21H2,1H3,(H,23,24);1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
VBGJSFNCACJCBQ-UHFFFAOYSA-K
Compound name
[butyl-di(docosanoyloxy)stannyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

1194.9515 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1195.9588 377.8
[M+Na]+ 1217.9407 378.0
[M-H]- 1193.9442 355.4
[M+NH4]+ 1212.9853 385.4
[M+K]+ 1233.9147 394.8
[M+H-H2O]+ 1177.9488 374.4
[M+HCOO]- 1239.9497 370.4
[M+CH3COO]- 1253.9654 354.4
[M+Na-2H]- 1215.9262 348.5
[M]+ 1194.9510 381.0
[M]- 1194.9520 381.0
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

patents stripe