CID 3019281

83763-43-3

Structural Information

Molecular Formula

C₉H₁₂N₂O₄S

SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC)O

InChI

InChI=1S/C9H12N2O4S/c1-6(12)11-8-5-7(3-4-9(8)13)16(14,15)10-2/h3-5,10,13H,1-2H3,(H,11,12)

InChIKey

DQXPHNSMSRYBCV-UHFFFAOYSA-N

Compound name

N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 244.05177 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.059046	149.8
[M+Na]+	267.040988	157.1
[M-H]-	243.044494	152.5
[M+NH4]+	262.085593	166.4
[M+K]+	283.014928	154.2
[M+H-H2O]+	227.049030	143.6
[M+HCOO]-	289.049971	168.1
[M+CH3COO]-	303.065621	191.4
[M+Na-2H]-	265.026436	153.7
[M]+	244.05122142	151.4
[M]-	244.05231858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe