CID 6908543

50626-26-1

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃S

SMILES

COC1=CC=C(C=C1)/C=N/NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14N2O3S/c1-19-13-9-7-12(8-10-13)11-15-16-20(17,18)14-5-3-2-4-6-14/h2-11,16H,1H3/b15-11+

InChIKey

HJUAEWHFTPLOTQ-RVDMUPIBSA-N

Compound name

N-[(E)-(4-methoxyphenyl)methylideneamino]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 290.0725 Da
Monoisotopic Mass: 2.5
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]+	291.07978	163.5
[M+Na]+	313.06172	170.9
[M-H]-	289.06522	171.6
[M+NH4]+	308.10632	179.2
[M+K]+	329.03566	166.8
[M+H-H2O]+	273.06976	155.3
[M+HCOO]-	335.07070	185.8
[M+CH3COO]-	349.08635	202.8
[M+Na-2H]-	311.04717	170.2
[M]+	290.07195	167.0
[M]-	290.07305	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe