CID 16684177

70942-30-2

Structural Information

Molecular Formula
C24H46N2O8Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)CCC(=O)OCCN(C)C)OC(=O)CCC(=O)OCCN(C)C
InChI
InChI=1S/2C8H15NO4.2C4H9.Sn/c2*1-9(2)5-6-13-8(12)4-3-7(10)11;2*1-3-4-2;/h2*3-6H2,1-2H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
PCHWBHIQIOTFDH-UHFFFAOYSA-L
Compound name
4-O-[dibutyl-[4-[2-(dimethylamino)ethoxy]-4-oxobutanoyl]oxystannyl] 1-O-[2-(dimethylamino)ethyl] butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.2276 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.23488 253.6
[M+Na]+ 633.21682 266.3
[M-H]- 609.22032 259.9
[M+NH4]+ 628.26142 270.5
[M+K]+ 649.19076 263.3
[M+H-H2O]+ 593.22486 256.6
[M+HCOO]- 655.22580 255.8
[M+CH3COO]- 669.24145 257.0
[M+Na-2H]- 631.20227 243.4
[M]+ 610.22705 252.1
[M]- 610.22815 252.1
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.