CID 16427129

2-ethoxy-5-(tributylstannyl)pyrimidine

Structural Information

Molecular Formula
C18H34N2OSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN=C(N=C1)OCC
InChI
InChI=1S/C6H7N2O.3C4H9.Sn/c1-2-9-6-7-4-3-5-8-6;3*1-3-4-2;/h4-5H,2H2,1H3;3*1,3-4H2,2H3;
InChIKey
KNCOSDYXPAQHNJ-UHFFFAOYSA-N
Compound name
tributyl-(2-ethoxypyrimidin-5-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

414.1693 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17658 203.3
[M+Na]+ 437.15852 206.9
[M-H]- 413.16202 201.7
[M+NH4]+ 432.20312 214.7
[M+K]+ 453.13246 202.5
[M+H-H2O]+ 397.16656 193.2
[M+HCOO]- 459.16750 219.2
[M+CH3COO]- 473.18315 214.3
[M+Na-2H]- 435.14397 203.9
[M]+ 414.16875 209.2
[M]- 414.16985 209.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe