CID 16729509

Chembl242551

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₄S

SMILES

C1=CC(=CC=C1NC(=O)C2=COC=C2)S(=O)(=O)N

InChI

InChI=1S/C11H10N2O4S/c12-18(15,16)10-3-1-9(2-4-10)13-11(14)8-5-6-17-7-8/h1-7H,(H,13,14)(H2,12,15,16)

InChIKey

PELYDKCDOQHAHF-UHFFFAOYSA-N

Compound name

N-(4-sulfamoylphenyl)furan-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.03613 Da
Monoisotopic Mass: 0.4
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]+	267.043406	156.5
[M+Na]+	289.025348	164.4
[M-H]-	265.028854	164.3
[M+NH4]+	284.069953	172.8
[M+K]+	304.999288	162.3
[M+H-H2O]+	249.033390	150.1
[M+HCOO]-	311.034331	176.9
[M+CH3COO]-	325.049981	193.8
[M+Na-2H]-	287.010796	160.9
[M]+	266.03558142	158.5
[M]-	266.03667858	158.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.