CID 104143

52298-44-9

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₄S

SMILES

COC1=CC(=C(C=C1N)OC)S(=O)(=O)NC2=CC=CC=C2

InChI

InChI=1S/C14H16N2O4S/c1-19-12-9-14(13(20-2)8-11(12)15)21(17,18)16-10-6-4-3-5-7-10/h3-9,16H,15H2,1-2H3

InChIKey

NFYQAEPHDGXJSY-UHFFFAOYSA-N

Compound name

4-amino-2,5-dimethoxy-N-phenylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 132
Patents: 308.08307 Da
Monoisotopic Mass: 1.7
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]+	309.09035	167.4
[M+Na]+	331.07229	175.3
[M-H]-	307.07579	174.1
[M+NH4]+	326.11689	181.8
[M+K]+	347.04623	171.4
[M+H-H2O]+	291.08033	159.5
[M+HCOO]-	353.08127	187.4
[M+CH3COO]-	367.09692	206.0
[M+Na-2H]-	329.05774	171.6
[M]+	308.08252	171.0
[M]-	308.08362	171.0

Literature stripe

literature stripe

Patent stripe

patents stripe