CID 16684316

58636-10-5

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 366.5
[M+Na]+ 1217.9407 364.0
[M+NH4]+ 1212.9853 368.4
[M+K]+ 1233.9147 370.6
[M-H]- 1193.9442 342.1
[M+Na-2H]- 1215.9262 355.3
[M]+ 1194.9510 361.0
[M]- 1194.9520 361.0
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