CID 3050823

Pyridine, 4-(2-(4-ethoxyphenylsulfonyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C15H17NO3S
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=NC=C2
InChI
InChI=1S/C15H17NO3S/c1-2-19-14-3-5-15(6-4-14)20(17,18)12-9-13-7-10-16-11-8-13/h3-8,10-11H,2,9,12H2,1H3
InChIKey
LMUQMAQMUHVQRY-UHFFFAOYSA-N
Compound name
4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09293 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10021 165.7
[M+Na]+ 314.08215 179.3
[M+NH4]+ 309.12675 173.2
[M+K]+ 330.05609 170.3
[M-H]- 290.08565 168.6
[M+Na-2H]- 312.06760 174.1
[M]+ 291.09238 169.0
[M]- 291.09348 169.0
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.