CID 120372

752-58-9

Structural Information

Molecular Formula
C39H81N3O3Sn3
SMILES
CCCC[Sn](CCCC)(CCCC)N1C(=O)N(C(=O)N(C1=O)[Sn](CCCC)(CCCC)CCCC)[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/9C4H9.C3H3N3O3.3Sn/c9*1-3-4-2;7-1-4-2(8)6-3(9)5-1;;;/h9*1,3-4H2,2H3;(H3,4,5,6,7,8,9);;;/q;;;;;;;;;;3*+1/p-3
InChIKey
ZYSMIQUZIKICMV-UHFFFAOYSA-K
Compound name
1,3,5-tris(tributylstannyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

999.3344 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1000.3417 274.1
[M+Na]+ 1022.3236 274.7
[M+NH4]+ 1017.3682 273.3
[M+K]+ 1038.2976 273.6
[M-H]- 998.32712 257.1
[M+Na-2H]- 1020.3091 270.8
[M]+ 999.33385 269.4
[M]- 999.33495 269.4
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.