CID 170454665

N-(4-amino-2,3-dihydroxyphenyl)sulfonylacetamide

Structural Information

Molecular Formula
C8H10N2O5S
SMILES
CC(=O)NS(=O)(=O)C1=C(C(=C(C=C1)N)O)O
InChI
InChI=1S/C8H10N2O5S/c1-4(11)10-16(14,15)6-3-2-5(9)7(12)8(6)13/h2-3,12-13H,9H2,1H3,(H,10,11)
InChIKey
GSQFCYCCQGDRMC-UHFFFAOYSA-N
Compound name
N-(4-amino-2,3-dihydroxyphenyl)sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.03104 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.038316 148.6
[M+Na]+ 269.020258 156.3
[M-H]- 245.023764 149.7
[M+NH4]+ 264.064863 164.1
[M+K]+ 284.994198 153.1
[M+H-H2O]+ 229.028300 142.7
[M+HCOO]- 291.029241 165.1
[M+CH3COO]- 305.044891 189.3
[M+Na-2H]- 267.005706 151.0
[M]+ 246.03049142 148.7
[M]- 246.03158858 148.7
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.