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

5
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 164.2
[M+Na]+ 326.06689 171.5
[M-H]- 302.07039 166.8
[M+NH4]+ 321.11149 178.8
[M+K]+ 342.04083 169.3
[M+H-H2O]+ 286.07493 157.8
[M+HCOO]- 348.07587 181.0
[M+CH3COO]- 362.09152 200.9
[M+Na-2H]- 324.05234 166.1
[M]+ 303.07712 171.0
[M]- 303.07822 171.0
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