CID 20839022

Dtxsid801122784

Structural Information

Molecular Formula
C24H42N2O8Sn
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)OCCN(C)C)(OC(=O)/C=C\C(=O)OCCN(C)C)CCCC
InChI
InChI=1S/2C8H13NO4.2C4H9.Sn/c2*1-9(2)5-6-13-8(12)4-3-7(10)11;2*1-3-4-2;/h2*3-4H,5-6H2,1-2H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-;;;
InChIKey
PWKJNQZXAFKGPP-VGKOASNMSA-L
Compound name
4-O-[dibutyl-[(Z)-4-[2-(dimethylamino)ethoxy]-4-oxobut-2-enoyl]oxystannyl] 1-O-[2-(dimethylamino)ethyl] (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

606.1963 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.20358 250.5
[M+Na]+ 629.18552 264.4
[M-H]- 605.18902 258.4
[M+NH4]+ 624.23012 268.1
[M+K]+ 645.15946 260.4
[M+H-H2O]+ 589.19356 253.6
[M+HCOO]- 651.19450 254.4
[M+CH3COO]- 665.21015 254.2
[M+Na-2H]- 627.17097 241.2
[M]+ 606.19575 248.6
[M]- 606.19685 248.6
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.