CID 16684038

19706-58-2

Structural Information

Molecular Formula
C48H88O8Sn
SMILES
CCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCCCC)(CCCC)CCCC
InChI
InChI=1S/2C20H36O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;2*1-3-4-2;/h2*16-17H,2-15,18H2,1H3,(H,21,22);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*17-16-;;;
InChIKey
WKBGYBQIHPLBDZ-UWBIUZGUSA-L
Compound name
4-O-[dibutyl-[(Z)-4-hexadecoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-hexadecyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

912.5501 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 913.55738 303.2
[M+Na]+ 935.53932 303.3
[M+NH4]+ 930.58392 307.6
[M+K]+ 951.51326 306.0
[M-H]- 911.54282 290.1
[M+Na-2H]- 933.52477 299.8
[M]+ 912.54955 300.8
[M]- 912.55065 300.8
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