CID 3008668

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

Structural Information

Molecular Formula
C16H33NSSn
SMILES
CC[Sn](CC)(CC)SC[C@@H]1CCCN2[C@@H]1CCCC2
InChI
InChI=1S/C10H19NS.3C2H5.Sn/c12-8-9-4-3-7-11-6-2-1-5-10(9)11;3*1-2;/h9-10,12H,1-8H2;3*1H2,2H3;/q;;;;+1/p-1/t9-,10+;;;;/m0..../s1
InChIKey
FQDZSBJLTONFJT-VQTXXYAFSA-M
Compound name
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-triethylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.13556 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14284 191.5
[M+Na]+ 414.12478 192.3
[M-H]- 390.12828 191.0
[M+NH4]+ 409.16938 206.4
[M+K]+ 430.09872 188.0
[M+H-H2O]+ 374.13282 183.3
[M+HCOO]- 436.13376 196.9
[M+CH3COO]- 450.14941 206.6
[M+Na-2H]- 412.11023 188.8
[M]+ 391.13501 188.6
[M]- 391.13611 188.6
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.