CID 16729508

Chembl242971

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₄S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=COC=C2

InChI

InChI=1S/C12H12N2O4S/c1-9-2-4-11(5-3-9)19(16,17)14-13-12(15)10-6-7-18-8-10/h2-8,14H,1H3,(H,13,15)

InChIKey

MADMUOJLEJQQSN-UHFFFAOYSA-N

Compound name

N'-(4-methylphenyl)sulfonylfuran-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 280.0518 Da
Monoisotopic Mass: 1.5
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]+	281.059076	160.8
[M+Na]+	303.041018	168.2
[M-H]-	279.044524	168.8
[M+NH4]+	298.085623	176.8
[M+K]+	319.014958	166.2
[M+H-H2O]+	263.049060	154.1
[M+HCOO]-	325.050001	181.5
[M+CH3COO]-	339.065651	197.4
[M+Na-2H]-	301.026466	165.6
[M]+	280.05125142	164.0
[M]-	280.05234858	164.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.