CID 29040097

3-amino-4-hydroxy-n-(2-methoxyethyl)benzenesulfonamide

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 150.5
[M+Na]+ 269.05665 157.7
[M-H]- 245.06015 152.5
[M+NH4]+ 264.10125 166.8
[M+K]+ 285.03059 154.4
[M+H-H2O]+ 229.06469 144.1
[M+HCOO]- 291.06563 169.0
[M+CH3COO]- 305.08128 191.5
[M+Na-2H]- 267.04210 154.4
[M]+ 246.06688 152.4
[M]- 246.06798 152.4
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.