CID 770010

4-acetamidobenzenesulfonanilide

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2

InChI

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

InChIKey

GDPQDWYHZBUJTA-UHFFFAOYSA-N

Compound name

N-[4-(phenylsulfamoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 290.0725 Da
Monoisotopic Mass: 1.4
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]+	291.079776	163.4
[M+Na]+	313.061718	169.9
[M-H]-	289.065224	170.2
[M+NH4]+	308.106323	178.3
[M+K]+	329.035658	165.6
[M+H-H2O]+	273.069760	155.6
[M+HCOO]-	335.070701	183.1
[M+CH3COO]-	349.086351	201.2
[M+Na-2H]-	311.047166	168.7
[M]+	290.07195142	164.5
[M]-	290.07304858	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe