CID 81894571

5-methoxypyridine-3-sulfonamide

Structural Information

Molecular Formula

C₆H₈N₂O₃S

SMILES

COC1=CC(=CN=C1)S(=O)(=O)N

InChI

InChI=1S/C6H8N2O3S/c1-11-5-2-6(4-8-3-5)12(7,9)10/h2-4H,1H3,(H2,7,9,10)

InChIKey

ROJVYTDXWIAKRX-UHFFFAOYSA-N

Compound name

5-methoxypyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 188.02556 Da
Monoisotopic Mass: -0.6
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]+	189.03284	135.4
[M+Na]+	211.01478	144.9
[M-H]-	187.01828	138.0
[M+NH4]+	206.05938	153.8
[M+K]+	226.98872	142.6
[M+H-H2O]+	171.02282	129.2
[M+HCOO]-	233.02376	154.1
[M+CH3COO]-	247.03941	178.9
[M+Na-2H]-	209.00023	141.2
[M]+	188.02501	137.7
[M]-	188.02611	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe