CID 456364

4-amino-n-(2-hydroxyethyl)benzenesulfonamide

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NCCO
InChI
InChI=1S/C8H12N2O3S/c9-7-1-3-8(4-2-7)14(12,13)10-5-6-11/h1-4,10-11H,5-6,9H2
InChIKey
NLESYSQTERIDQP-UHFFFAOYSA-N
Compound name
4-amino-N-(2-hydroxyethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

165
Patents

216.05687 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 143.3
[M+Na]+ 239.04609 150.4
[M-H]- 215.04959 145.2
[M+NH4]+ 234.09069 160.6
[M+K]+ 255.02003 146.7
[M+H-H2O]+ 199.05413 137.1
[M+HCOO]- 261.05507 161.9
[M+CH3COO]- 275.07072 185.0
[M+Na-2H]- 237.03154 148.1
[M]+ 216.05632 143.1
[M]- 216.05742 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe