CID 2763272

122476-85-1

Structural Information

Molecular Formula
C17H32N2O2SSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN=C(N=C1)S(=O)(=O)C
InChI
InChI=1S/C5H5N2O2S.3C4H9.Sn/c1-10(8,9)5-6-3-2-4-7-5;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3;
InChIKey
RRHTVQOGUAOHDR-UHFFFAOYSA-N
Compound name
tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

448.12067 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.12795 206.4
[M+Na]+ 471.10989 211.2
[M-H]- 447.11339 205.5
[M+NH4]+ 466.15449 217.0
[M+K]+ 487.08383 205.9
[M+H-H2O]+ 431.11793 197.1
[M+HCOO]- 493.11887 216.6
[M+CH3COO]- 507.13452 215.7
[M+Na-2H]- 469.09534 205.6
[M]+ 448.12012 213.3
[M]- 448.12122 213.3
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

patents stripe