CID 11820950

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

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂S

SMILES

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

InChI

InChI=1S/C12H15N3O2S/c1-3-8-18-12(13)15-14-11(16)9-4-6-10(17-2)7-5-9/h3-7H,1,8H2,2H3,(H2,13,15)(H,14,16)

InChIKey

YXWHIFLVSMUZIX-UHFFFAOYSA-N

Compound name

prop-2-enyl N'-[(4-methoxybenzoyl)amino]carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 265.0885 Da
Monoisotopic Mass: 2.1
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]+	266.095776	160.3
[M+Na]+	288.077718	165.4
[M-H]-	264.081224	164.4
[M+NH4]+	283.122323	176.6
[M+K]+	304.051658	162.1
[M+H-H2O]+	248.085760	152.4
[M+HCOO]-	310.086701	181.1
[M+CH3COO]-	324.102351	203.3
[M+Na-2H]-	286.063166	161.5
[M]+	265.08795142	161.5
[M]-	265.08904858	161.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.