CID 6536759

4-methoxy-benzoic acid (amino-methylsulfanyl-methylene)-hydrazide

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂S

SMILES

COC1=CC=C(C=C1)C(=O)N/N=C(\N)/SC

InChI

InChI=1S/C10H13N3O2S/c1-15-8-5-3-7(4-6-8)9(14)12-13-10(11)16-2/h3-6H,1-2H3,(H2,11,13)(H,12,14)

InChIKey

AJNBZIXMVSHUJM-UHFFFAOYSA-N

Compound name

methyl N'-[(4-methoxybenzoyl)amino]carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 239.07285 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]+	240.080126	152.4
[M+Na]+	262.062068	158.1
[M-H]-	238.065574	156.8
[M+NH4]+	257.106673	169.9
[M+K]+	278.036008	155.9
[M+H-H2O]+	222.070110	144.8
[M+HCOO]-	284.071051	173.7
[M+CH3COO]-	298.086701	198.2
[M+Na-2H]-	260.047516	154.5
[M]+	239.07230142	153.5
[M]-	239.07339858	153.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.