CID 12190128

4-methoxy-2-(tributylstannyl)pyrimidine

Structural Information

Molecular Formula
C17H32N2OSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC=CC(=N1)OC
InChI
InChI=1S/C5H5N2O.3C4H9.Sn/c1-8-5-2-3-6-4-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKey
HQUSEOSQVFRYQV-UHFFFAOYSA-N
Compound name
tributyl-(4-methoxypyrimidin-2-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

400.15366 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16094 198.8
[M+Na]+ 423.14288 202.9
[M-H]- 399.14638 197.5
[M+NH4]+ 418.18748 210.9
[M+K]+ 439.11682 198.8
[M+H-H2O]+ 383.15092 189.0
[M+HCOO]- 445.15186 215.1
[M+CH3COO]- 459.16751 211.3
[M+Na-2H]- 421.12833 200.0
[M]+ 400.15311 204.4
[M]- 400.15421 204.4
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

patents stripe