CID 106431

68039-15-6

Structural Information

Molecular Formula
C12H17NO6S
SMILES
CC(=O)NC1=CC(=C(C=C1OC)S(=O)(=O)CCO)OC
InChI
InChI=1S/C12H17NO6S/c1-8(15)13-9-6-11(19-3)12(7-10(9)18-2)20(16,17)5-4-14/h6-7,14H,4-5H2,1-3H3,(H,13,15)
InChIKey
OVVZJBVGJCOWFB-UHFFFAOYSA-N
Compound name
N-[4-(2-hydroxyethylsulfonyl)-2,5-dimethoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

303.07767 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08495 167.2
[M+Na]+ 326.06689 175.5
[M+NH4]+ 321.11149 171.5
[M+K]+ 342.04083 171.0
[M-H]- 302.07039 165.7
[M+Na-2H]- 324.05234 169.3
[M]+ 303.07712 168.0
[M]- 303.07822 168.0
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

patents stripe