CID 10731286

51765-60-7

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃S

SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)N)OC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O3S/c1-19(16,17)15-12-8-7-10(14)9-13(12)18-11-5-3-2-4-6-11/h2-9,15H,14H2,1H3

InChIKey

YOLBGXWXHOCLMI-UHFFFAOYSA-N

Compound name

N-(4-amino-2-phenoxyphenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 28
Patents: 278.0725 Da
Monoisotopic Mass: 2.1
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]+	279.07978	159.8
[M+Na]+	301.06172	167.6
[M-H]-	277.06522	166.4
[M+NH4]+	296.10632	175.3
[M+K]+	317.03566	163.2
[M+H-H2O]+	261.06976	152.2
[M+HCOO]-	323.07070	180.0
[M+CH3COO]-	337.08635	199.5
[M+Na-2H]-	299.04717	164.9
[M]+	278.07195	161.3
[M]-	278.07305	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe