CID 3052695

O-toluenesulfonamide, 4-amino-n-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C9H14N2O3S
SMILES
CC1=C(C=CC(=C1)N)S(=O)(=O)NCCO
InChI
InChI=1S/C9H14N2O3S/c1-7-6-8(10)2-3-9(7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3
InChIKey
XZKDKBLWOVZGFR-UHFFFAOYSA-N
Compound name
4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.07251 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07979 149.2
[M+Na]+ 253.06173 158.0
[M+NH4]+ 248.10633 155.5
[M+K]+ 269.03567 152.3
[M-H]- 229.06523 149.8
[M+Na-2H]- 251.04718 153.2
[M]+ 230.07196 150.8
[M]- 230.07306 150.8
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.