CID 16683205

Nsc643861

Structural Information

Molecular Formula
C22H30N2O4S2Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)C1=C(N=CC=C1)SC)OC(=O)C2=C(N=CC=C2)SC
InChI
InChI=1S/2C7H7NO2S.2C4H9.Sn/c2*1-11-6-5(7(9)10)3-2-4-8-6;2*1-3-4-2;/h2*2-4H,1H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
BTEGEIUATUJPQX-UHFFFAOYSA-L
Compound name
[dibutyl-(2-methylsulfanylpyridine-3-carbonyl)oxystannyl] 2-methylsulfanylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.0669 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.07418 229.4
[M+Na]+ 593.05612 232.6
[M-H]- 569.05962 230.9
[M+NH4]+ 588.10072 234.5
[M+K]+ 609.03006 226.0
[M+H-H2O]+ 553.06416 218.6
[M+HCOO]- 615.06510 234.2
[M+CH3COO]- 629.08075 234.5
[M+Na-2H]- 591.04157 225.1
[M]+ 570.06635 238.1
[M]- 570.06745 238.1
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.