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]+ 607.203576 250.5
[M+Na]+ 629.185518 264.4
[M-H]- 605.189024 258.4
[M+NH4]+ 624.230123 268.1
[M+K]+ 645.159458 260.4
[M+H-H2O]+ 589.193560 253.6
[M+HCOO]- 651.194501 254.4
[M+CH3COO]- 665.210151 254.2
[M+Na-2H]- 627.170966 241.2
[M]+ 606.19575142 248.6
[M]- 606.19684858 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.