CID 5354795

4-aminobenzaldehyde thiosemicarbazone

Structural Information

Molecular Formula

C₈H₁₀N₄S

SMILES

C1=CC(=CC=C1/C=N\NC(=S)N)N

InChI

InChI=1S/C8H10N4S/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,9H2,(H3,10,12,13)/b11-5-

InChIKey

MYWZDHHBMWNLCN-WZUFQYTHSA-N

Compound name

[(Z)-(4-aminophenyl)methylideneamino]thiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 5
Patents: 194.06262 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]+	195.06990	140.5
[M+Na]+	217.05184	148.8
[M+NH4]+	212.09644	148.4
[M+K]+	233.02578	141.7
[M-H]-	193.05534	144.4
[M+Na-2H]-	215.03729	146.3
[M]+	194.06207	142.8
[M]-	194.06317	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe