CID 13651552

27375-53-7

Structural Information

Molecular Formula
C11H15NO5S
SMILES
CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)CCO)OC
InChI
InChI=1S/C11H15NO5S/c1-8(14)12-10-7-9(3-4-11(10)17-2)18(15,16)6-5-13/h3-4,7,13H,5-6H2,1-2H3,(H,12,14)
InChIKey
OBKJZBGUBIIBKC-UHFFFAOYSA-N
Compound name
N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

273.0671 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07438 157.7
[M+Na]+ 296.05632 164.9
[M-H]- 272.05982 160.2
[M+NH4]+ 291.10092 173.4
[M+K]+ 312.03026 162.2
[M+H-H2O]+ 256.06436 151.5
[M+HCOO]- 318.06530 174.7
[M+CH3COO]- 332.08095 194.4
[M+Na-2H]- 294.04177 160.4
[M]+ 273.06655 162.3
[M]- 273.06765 162.3
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