CID 16684096

Ethyl (z,z,z)-9-((4-ethoxy-1,4-dioxobut-2-enyl)oxy)-9-octyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate

Structural Information

Molecular Formula
C26H38O12Sn
SMILES
CCCCCCCC[Sn](OC(=O)/C=C\C)(OC(=O)/C=C\C(=O)OCC)OC(=O)/C=C\C(=O)OCC(=O)OCC
InChI
InChI=1S/C8H10O6.C8H17.C6H8O4.C4H6O2.Sn/c1-2-13-8(12)5-14-7(11)4-3-6(9)10;1-3-5-7-8-6-4-2;1-2-10-6(9)4-3-5(7)8;1-2-3-4(5)6;/h3-4H,2,5H2,1H3,(H,9,10);1,3-8H2,2H3;3-4H,2H2,1H3,(H,7,8);2-3H,1H3,(H,5,6);/q;;;;+3/p-3/b4-3-;;4-3-;3-2-;
InChIKey
GWCUIPIVGBKQMY-JUJCZXNKSA-K
Compound name
4-O-[[(Z)-but-2-enoyl]oxy-[(Z)-4-(2-ethoxy-2-oxoethoxy)-4-oxobut-2-enoyl]oxy-octylstannyl] 1-O-ethyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.13855 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.14583 253.9
[M+Na]+ 685.12777 263.2
[M-H]- 661.13127 260.8
[M+NH4]+ 680.17237 272.8
[M+K]+ 701.10171 260.3
[M+H-H2O]+ 645.13581 257.1
[M+HCOO]- 707.13675 260.0
[M+CH3COO]- 721.15240 248.7
[M+Na-2H]- 683.11322 242.9
[M]+ 662.13800 255.4
[M]- 662.13910 255.4
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.