CID 16683168

Nsc633502

Structural Information

Molecular Formula
C14H21NO2SSn
SMILES
CCCC[Sn]1(OC(=O)C2=C(S1)N=CC=C2)CCCC
InChI
InChI=1S/C6H5NO2S.2C4H9.Sn/c8-6(9)4-2-1-3-7-5(4)10;2*1-3-4-2;/h1-3H,(H,7,10)(H,8,9);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
FVTUEYBZUJNBQU-UHFFFAOYSA-L
Compound name
2,2-dibutyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.0315 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.03878 182.2
[M+Na]+ 410.02072 188.7
[M-H]- 386.02422 184.4
[M+NH4]+ 405.06532 198.3
[M+K]+ 425.99466 185.4
[M+H-H2O]+ 370.02876 174.3
[M+HCOO]- 432.02970 194.1
[M+CH3COO]- 446.04535 202.9
[M+Na-2H]- 408.00617 184.4
[M]+ 387.03095 186.7
[M]- 387.03205 186.7
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.