CID 235530

7400-96-6

Structural Information

Molecular Formula

C₉H₁₄N₂O₃S

SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)N

InChI

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

InChIKey

LEDOHLBFUWTDPD-UHFFFAOYSA-N

Compound name

3-amino-4-methoxy-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 230.07251 Da
Monoisotopic Mass: 1.0
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	149.4
[M+Na]+	253.06173	159.0
[M+NH4]+	248.10633	156.4
[M+K]+	269.03567	153.4
[M-H]-	229.06523	150.9
[M+Na-2H]-	251.04718	154.3
[M]+	230.07196	151.4
[M]-	230.07306	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe