CID 5334

Sulfanitran

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₅S

SMILES

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

InChI

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

InChIKey

GWBPFRGXNGPPMF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 27
References: 2690
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]+	336.06488	168.1
[M+Na]+	358.04682	178.8
[M+NH4]+	353.09142	173.7
[M+K]+	374.02076	175.5
[M-H]-	334.05032	172.1
[M+Na-2H]-	356.03227	175.2
[M]+	335.05705	170.8
[M]-	335.05815	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe