CID 2763261

2-(methylthio)-4-(tributylstannyl)pyrimidine

Structural Information

Molecular Formula
C17H32N2SSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC(=NC=C1)SC
InChI
InChI=1S/C5H5N2S.3C4H9.Sn/c1-8-5-6-3-2-4-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKey
PTONZGYJJBJAGZ-UHFFFAOYSA-N
Compound name
tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

416.13083 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13811 199.3
[M+Na]+ 439.12005 203.7
[M-H]- 415.12355 198.1
[M+NH4]+ 434.16465 211.4
[M+K]+ 455.09399 198.0
[M+H-H2O]+ 399.12809 189.7
[M+HCOO]- 461.12903 210.4
[M+CH3COO]- 475.14468 213.0
[M+Na-2H]- 437.10550 197.3
[M]+ 416.13028 205.4
[M]- 416.13138 205.4
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