CID 49336

Acetanilide, 4'-(2-(4-pyridyl)ethylsulfonyl)-, hydrochloride

Structural Information

Molecular Formula
C15H16N2O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=NC=C2
InChI
InChI=1S/C15H16N2O3S/c1-12(18)17-14-2-4-15(5-3-14)21(19,20)11-8-13-6-9-16-10-7-13/h2-7,9-10H,8,11H2,1H3,(H,17,18)
InChIKey
LYEFNDXBMIDGMI-UHFFFAOYSA-N
Compound name
N-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.08817 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09545 168.6
[M+Na]+ 327.07739 175.7
[M-H]- 303.08089 174.0
[M+NH4]+ 322.12199 182.0
[M+K]+ 343.05133 171.0
[M+H-H2O]+ 287.08543 160.3
[M+HCOO]- 349.08637 185.8
[M+CH3COO]- 363.10202 201.7
[M+Na-2H]- 325.06284 172.9
[M]+ 304.08762 171.2
[M]- 304.08872 171.2
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

patents stripe