CID 3008670

2h-quinolizine, octahydro-1-[[(triphenylstannyl)thio]methyl]-, (1r,9ar)-

Structural Information

Molecular Formula
C28H33NSSn
SMILES
C1CCN2CCC[C@H]([C@H]2C1)CS[Sn](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C10H19NS.3C6H5.Sn/c12-8-9-4-3-7-11-6-2-1-5-10(9)11;3*1-2-4-6-5-3-1;/h9-10,12H,1-8H2;3*1-5H;/q;;;;+1/p-1/t9-,10+;;;;/m0..../s1
InChIKey
HGVJAIDTWGTNBB-VQTXXYAFSA-M
Compound name
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-triphenylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

535.13556 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.14284 221.5
[M+Na]+ 558.12478 221.2
[M-H]- 534.12828 228.8
[M+NH4]+ 553.16938 228.3
[M+K]+ 574.09872 212.5
[M+H-H2O]+ 518.13282 208.3
[M+HCOO]- 580.13376 227.1
[M+CH3COO]- 594.14941 225.3
[M+Na-2H]- 556.11023 220.3
[M]+ 535.13501 213.9
[M]- 535.13611 213.9
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.