CID 11066293

2-benzylthio-3-ethylsulfonylpyridine

Structural Information

Molecular Formula
C14H15NO2S2
SMILES
CCS(=O)(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2
InChI
InChI=1S/C14H15NO2S2/c1-2-19(16,17)13-9-6-10-15-14(13)18-11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKey
BAHRLQFOLFKNQS-UHFFFAOYSA-N
Compound name
2-benzylsulfanyl-3-ethylsulfonylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0544 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06168 163.8
[M+Na]+ 316.04362 177.3
[M+NH4]+ 311.08822 172.2
[M+K]+ 332.01756 166.2
[M-H]- 292.04712 167.3
[M+Na-2H]- 314.02907 171.8
[M]+ 293.05385 167.8
[M]- 293.05495 167.8
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.