CID 16683189

Di-n-butyltin bis(3-amino-4-methylbenzoate)

Structural Information

Molecular Formula
C24H34N2O4Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C=C1)C)N)OC(=O)C2=CC(=C(C=C2)C)N
InChI
InChI=1S/2C8H9NO2.2C4H9.Sn/c2*1-5-2-3-6(8(10)11)4-7(5)9;2*1-3-4-2;/h2*2-4H,9H2,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
BOBXEBITHZKWLW-UHFFFAOYSA-L
Compound name
[(3-amino-4-methylbenzoyl)oxy-dibutylstannyl] 3-amino-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

534.15405 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.16133 229.3
[M+Na]+ 557.14327 231.9
[M-H]- 533.14677 233.4
[M+NH4]+ 552.18787 237.0
[M+K]+ 573.11721 227.9
[M+H-H2O]+ 517.15131 218.9
[M+HCOO]- 579.15225 246.9
[M+CH3COO]- 593.16790 240.3
[M+Na-2H]- 555.12872 224.0
[M]+ 534.15350 232.6
[M]- 534.15460 232.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.