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 320.4
[M+Na]+ 1022.3236 330.6
[M-H]- 998.32712 312.0
[M+NH4]+ 1017.3682 328.4
[M+K]+ 1038.2976 333.3
[M+H-H2O]+ 982.33166 315.3
[M+HCOO]- 1044.3326 338.3
[M+CH3COO]- 1058.3483 296.9
[M+Na-2H]- 1020.3091 299.5
[M]+ 999.33385 318.1
[M]- 999.33495 318.1
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.