CID 3802649

5-amino-n-(4-iodophenyl)-2-methoxybenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₃H₁₃IN₂O₃S

SMILES

COC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C13H13IN2O3S/c1-19-12-7-4-10(15)8-13(12)20(17,18)16-11-5-2-9(14)3-6-11/h2-8,16H,15H2,1H3

InChIKey

PMHCGESRDLKAEK-UHFFFAOYSA-N

Compound name

5-amino-N-(4-iodophenyl)-2-methoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 403.96915 Da
Monoisotopic Mass: 2.4
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]+	404.976426	182.8
[M+Na]+	426.958368	183.7
[M-H]-	402.961874	182.1
[M+NH4]+	422.002973	192.8
[M+K]+	442.932308	185.0
[M+H-H2O]+	386.966410	171.2
[M+HCOO]-	448.967351	197.2
[M+CH3COO]-	462.983001	210.8
[M+Na-2H]-	424.943816	174.0
[M]+	403.96860142	181.6
[M]-	403.96969858	181.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.