CID 9562720

Nsc183359

Structural Information

Molecular Formula
C17H29NO2S2Sn
SMILES
CCCC[Sn]1(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C)CCCC
InChI
InChI=1S/C9H12NO2S2.2C4H9.Sn/c1-8-2-4-9(5-3-8)14(11,12)10-6-7-13;2*1-3-4-2;/h2-5,13H,6-7H2,1H3;2*1,3-4H2,2H3;/q-1;;;+2/p-1
InChIKey
AYROPZMDMVUBTL-UHFFFAOYSA-M
Compound name
2,2-dibutyl-3-(4-methylphenyl)sulfonyl-1,3,2-thiazastannolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.06616 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.07344 202.8
[M+Na]+ 486.05538 208.5
[M-H]- 462.05888 206.2
[M+NH4]+ 481.09998 218.0
[M+K]+ 502.02932 202.5
[M+H-H2O]+ 446.06342 195.6
[M+HCOO]- 508.06436 210.2
[M+CH3COO]- 522.08001 213.7
[M+Na-2H]- 484.04083 199.2
[M]+ 463.06561 207.2
[M]- 463.06671 207.2
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.