CID 170791

49564-57-0

Structural Information

Molecular Formula

C₉H₁₄N₂O₃S

SMILES

CC1=CC(=C(C=C1S(=O)(=O)NC)OC)N

InChI

InChI=1S/C9H14N2O3S/c1-6-4-7(10)8(14-3)5-9(6)15(12,13)11-2/h4-5,11H,10H2,1-3H3

InChIKey

GWSQAGVGSHXRJK-UHFFFAOYSA-N

Compound name

4-amino-5-methoxy-N,2-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 97
Patents: 230.07251 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.07979	149.8
[M+Na]+	253.06173	159.5
[M+NH4]+	248.10633	156.5
[M+K]+	269.03567	153.6
[M-H]-	229.06523	151.0
[M+Na-2H]-	251.04718	154.1
[M]+	230.07196	151.7
[M]-	230.07306	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe