CID 29040097

2-aminophenol-4-(2'-methoxy)sulfonethylamide hydrochloride

Structural Information

Molecular Formula
C9H14N2O4S
SMILES
COCCNS(=O)(=O)C1=CC(=C(C=C1)O)N
InChI
InChI=1S/C9H14N2O4S/c1-15-5-4-11-16(13,14)7-2-3-9(12)8(10)6-7/h2-3,6,11-12H,4-5,10H2,1H3
InChIKey
OBKGPHQISCCCIY-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06743 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07471 152.2
[M+Na]+ 269.05665 160.5
[M+NH4]+ 264.10125 157.9
[M+K]+ 285.03059 155.3
[M-H]- 245.06015 152.3
[M+Na-2H]- 267.04210 155.8
[M]+ 246.06688 153.5
[M]- 246.06798 153.5
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.