CID 16684124

60659-60-1

Structural Information

Molecular Formula
C44H80O8Sn
SMILES
CCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)(CCCC)CCCC
InChI
InChI=1S/2C18H32O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-4-2;/h2*14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*15-14-;;;
InChIKey
PRLCKJLONDXDMA-POUCYOBESA-L
Compound name
4-O-[dibutyl-[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxystannyl] 1-O-tetradecyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

856.48755 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 857.49483 290.1
[M+Na]+ 879.47677 290.6
[M+NH4]+ 874.52137 294.6
[M+K]+ 895.45071 292.6
[M-H]- 855.48027 278.3
[M+Na-2H]- 877.46222 288.0
[M]+ 856.48700 288.0
[M]- 856.48810 288.0
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.