CID 3050834

2-(2-(2,4-xylylsulfonyl)ethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C15H17NO2S
SMILES
CC1=CC(=C(C=C1)S(=O)(=O)CCC2=CC=CC=N2)C
InChI
InChI=1S/C15H17NO2S/c1-12-6-7-15(13(2)11-12)19(17,18)10-8-14-5-3-4-9-16-14/h3-7,9,11H,8,10H2,1-2H3
InChIKey
NPCNCQVLYMXHBO-UHFFFAOYSA-N
Compound name
2-[2-(2,4-dimethylphenyl)sulfonylethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.098 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10528 162.8
[M+Na]+ 298.08722 177.3
[M+NH4]+ 293.13182 170.8
[M+K]+ 314.06116 167.9
[M-H]- 274.09072 166.2
[M+Na-2H]- 296.07267 171.3
[M]+ 275.09745 166.5
[M]- 275.09855 166.5
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.