CID 3058874

2-furancarboximidamide, 5-((4-methoxyphenyl)sulfonyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₄S

SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C(=N)N

InChI

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

InChIKey

MEPVRTQKOUXUJL-UHFFFAOYSA-N

Compound name

5-(4-methoxyphenyl)sulfonylfuran-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.0518 Da
Monoisotopic Mass: 1.4
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]+	281.059076	160.9
[M+Na]+	303.041018	169.0
[M-H]-	279.044524	168.7
[M+NH4]+	298.085623	176.8
[M+K]+	319.014958	166.7
[M+H-H2O]+	263.049060	154.4
[M+HCOO]-	325.050001	180.8
[M+CH3COO]-	339.065651	198.7
[M+Na-2H]-	301.026466	164.1
[M]+	280.05125142	163.6
[M]-	280.05234858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.