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]+ 294.061676 164.0
[M+Na]+ 316.043618 172.8
[M-H]- 292.047124 169.2
[M+NH4]+ 311.088223 178.8
[M+K]+ 332.017558 166.4
[M+H-H2O]+ 276.051660 156.5
[M+HCOO]- 338.052601 175.8
[M+CH3COO]- 352.068251 196.9
[M+Na-2H]- 314.029066 166.9
[M]+ 293.05385142 167.7
[M]- 293.05494858 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.