CID 14270847

123061-47-2

Structural Information

Molecular Formula
C17H31ClN2SSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC(=NC=C1Cl)SC
InChI
InChI=1S/C5H4ClN2S.3C4H9.Sn/c1-9-5-7-2-4(6)3-8-5;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKey
BEAZTYRRUVEVMV-UHFFFAOYSA-N
Compound name
tributyl-(5-chloro-2-methylsulfanylpyrimidin-4-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.09186 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.09914 204.2
[M+Na]+ 473.08108 209.9
[M-H]- 449.08458 203.4
[M+NH4]+ 468.12568 216.1
[M+K]+ 489.05502 202.7
[M+H-H2O]+ 433.08912 195.4
[M+HCOO]- 495.09006 210.6
[M+CH3COO]- 509.10571 217.6
[M+Na-2H]- 471.06653 201.2
[M]+ 450.09131 212.4
[M]- 450.09241 212.4
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

No patent data available for this compound.