CID 105530

67674-30-0

Structural Information

Molecular Formula
C12H17NO4S
SMILES
CC1=CC(=C(C=C1NC(=O)C)S(=O)(=O)CCO)C
InChI
InChI=1S/C12H17NO4S/c1-8-6-9(2)12(18(16,17)5-4-14)7-11(8)13-10(3)15/h6-7,14H,4-5H2,1-3H3,(H,13,15)
InChIKey
APKKTXVDDACAIN-UHFFFAOYSA-N
Compound name
N-[5-(2-hydroxyethylsulfonyl)-2,4-dimethylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08783 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09511 161.6
[M+Na]+ 294.07705 171.0
[M+NH4]+ 289.12165 167.2
[M+K]+ 310.05099 165.3
[M-H]- 270.08055 161.1
[M+Na-2H]- 292.06250 164.5
[M]+ 271.08728 163.0
[M]- 271.08838 163.0
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.