CID 16683206

Nsc643862

Structural Information

Molecular Formula
C26H40N2O5S2Sn2
SMILES
CCC[Sn](CCC)(OC(=O)C1=C(N=CC=C1)SC)O[Sn](CCC)(CCC)OC(=O)C2=C(N=CC=C2)SC
InChI
InChI=1S/2C7H7NO2S.4C3H7.O.2Sn/c2*1-11-6-5(7(9)10)3-2-4-8-6;4*1-3-2;;;/h2*2-4H,1H3,(H,9,10);4*1,3H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
RRTNLYJNODYCSX-UHFFFAOYSA-L
Compound name
[[(2-methylsulfanylpyridine-3-carbonyl)oxy-dipropylstannyl]oxy-dipropylstannyl] 2-methylsulfanylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

764.0423 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.04958 272.1
[M+Na]+ 787.03152 271.7
[M-H]- 763.03502 271.7
[M+NH4]+ 782.07612 272.3
[M+K]+ 803.00546 265.2
[M+H-H2O]+ 747.03956 259.6
[M+HCOO]- 809.04050 272.9
[M+CH3COO]- 823.05615 254.5
[M+Na-2H]- 785.01697 265.7
[M]+ 764.04175 283.0
[M]- 764.04285 283.0
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.