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

2
Annotation Hits: 28
References: 2772
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	169.7
[M+Na]+	358.04682	174.4
[M-H]-	334.05032	176.3
[M+NH4]+	353.09142	181.4
[M+K]+	374.02076	166.5
[M+H-H2O]+	318.05486	165.8
[M+HCOO]-	380.05580	190.1
[M+CH3COO]-	394.07145	203.1
[M+Na-2H]-	356.03227	176.9
[M]+	335.05705	169.0
[M]-	335.05815	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe