CID 22616293

2-(1h-imidazol-1-yl)benzenesulfonamide

Structural Information

Molecular Formula

C₉H₉N₃O₂S

SMILES

C1=CC=C(C(=C1)N2C=CN=C2)S(=O)(=O)N

InChI

InChI=1S/C9H9N3O2S/c10-15(13,14)9-4-2-1-3-8(9)12-6-5-11-7-12/h1-7H,(H2,10,13,14)

InChIKey

PVZMUQOQLLVSKN-UHFFFAOYSA-N

Compound name

2-imidazol-1-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 223.04155 Da
Monoisotopic Mass: 0.2
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]+	224.04883	146.1
[M+Na]+	246.03077	157.6
[M+NH4]+	241.07537	153.3
[M+K]+	262.00471	152.7
[M-H]-	222.03427	147.9
[M+Na-2H]-	244.01622	153.2
[M]+	223.04100	148.5
[M]-	223.04210	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe