CID 9569946

Nsc628588

Structural Information

Molecular Formula
C26H30N2S2Sn
SMILES
CCCC[Sn](CCCC)(SC1=CC=CC2=C1N=CC=C2)SC3=CC=CC4=C3N=CC=C4
InChI
InChI=1S/2C9H7NS.2C4H9.Sn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-3-4-2;/h2*1-6,11H;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
XFDRJUCVHMLTFN-UHFFFAOYSA-L
Compound name
dibutyl-bis(quinolin-8-ylsulfanyl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.0872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.09448 224.2
[M+Na]+ 577.07642 230.8
[M-H]- 553.07992 227.1
[M+NH4]+ 572.12102 232.3
[M+K]+ 593.05036 220.4
[M+H-H2O]+ 537.08446 213.2
[M+HCOO]- 599.08540 229.8
[M+CH3COO]- 613.10105 229.7
[M+Na-2H]- 575.06187 226.5
[M]+ 554.08665 230.2
[M]- 554.08775 230.2
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

No patent data available for this compound.