CID 720086

4-acetamido-n-(3-nitrophenyl)benzenesulfonamide

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₅S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c1-10(18)15-11-5-7-14(8-6-11)23(21,22)16-12-3-2-4-13(9-12)17(19)20/h2-9,16H,1H3,(H,15,18)

InChIKey

YNJQNZHJCLLYOD-UHFFFAOYSA-N

Compound name

N-[4-[(3-nitrophenyl)sulfamoyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.0576 Da
Monoisotopic Mass: 2.0
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]+	336.064876	169.7
[M+Na]+	358.046818	174.4
[M-H]-	334.050324	176.3
[M+NH4]+	353.091423	181.4
[M+K]+	374.020758	166.5
[M+H-H2O]+	318.054860	165.8
[M+HCOO]-	380.055801	190.1
[M+CH3COO]-	394.071451	203.1
[M+Na-2H]-	356.032266	176.9
[M]+	335.05705142	169.0
[M]-	335.05814858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.