CID 17262698

1-ethyl-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula

C₅H₉N₃O₂S

SMILES

CCN1C=C(C=N1)S(=O)(=O)N

InChI

InChI=1S/C5H9N3O2S/c1-2-8-4-5(3-7-8)11(6,9)10/h3-4H,2H2,1H3,(H2,6,9,10)

InChIKey

LYLRCLRAOORSIQ-UHFFFAOYSA-N

Compound name

1-ethylpyrazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 175.04155 Da
Monoisotopic Mass: -0.9
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]+	176.04883	136.0
[M+Na]+	198.03077	145.2
[M+NH4]+	193.07537	142.5
[M+K]+	214.00471	141.6
[M-H]-	174.03427	135.0
[M+Na-2H]-	196.01622	139.5
[M]+	175.04100	137.1
[M]-	175.04210	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe