CID 11066293

Pyridine, 3-(ethylsulfonyl)-2-((phenylmethyl)thio)-

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
2
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 164.0
[M+Na]+ 316.04362 172.8
[M-H]- 292.04712 169.2
[M+NH4]+ 311.08822 178.8
[M+K]+ 332.01756 166.4
[M+H-H2O]+ 276.05166 156.5
[M+HCOO]- 338.05260 175.8
[M+CH3COO]- 352.06825 196.9
[M+Na-2H]- 314.02907 166.9
[M]+ 293.05385 167.7
[M]- 293.05495 167.7
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.