CID 16683255

Nsc654608

Structural Information

Molecular Formula
C25H21NO2SSn
SMILES
CSC1=C(C=CC=N1)C(=O)O[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C7H7NO2S.3C6H5.Sn/c1-11-6-5(7(9)10)3-2-4-8-6;3*1-2-4-6-5-3-1;/h2-4H,1H3,(H,9,10);3*1-5H;/q;;;;+1/p-1
InChIKey
YYNJZUPZPDFQEA-UHFFFAOYSA-M
Compound name
triphenylstannyl 2-methylsulfanylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.0315 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.03878 219.6
[M+Na]+ 542.02072 224.1
[M-H]- 518.02422 229.0
[M+NH4]+ 537.06532 226.6
[M+K]+ 557.99466 216.6
[M+H-H2O]+ 502.02876 207.2
[M+HCOO]- 564.02970 233.0
[M+CH3COO]- 578.04535 226.4
[M+Na-2H]- 540.00617 220.7
[M]+ 519.03095 220.7
[M]- 519.03205 220.7
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

No patent data available for this compound.