CID 720928

63224-32-8

Structural Information

Molecular Formula

C₉H₁₁N₃O₂S

SMILES

CNC(=S)NNC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C9H11N3O2S/c1-10-9(15)12-11-8(14)6-4-2-3-5-7(6)13/h2-5,13H,1H3,(H,11,14)(H2,10,12,15)

InChIKey

JHDACFKZRIHBOO-UHFFFAOYSA-N

Compound name

1-[(2-hydroxybenzoyl)amino]-3-methylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 225.0572 Da
Monoisotopic Mass: 1.3
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]+	226.06448	147.9
[M+Na]+	248.04642	153.2
[M-H]-	224.04992	150.2
[M+NH4]+	243.09102	164.8
[M+K]+	264.02036	149.8
[M+H-H2O]+	208.05446	141.0
[M+HCOO]-	270.05540	167.1
[M+CH3COO]-	284.07105	190.3
[M+Na-2H]-	246.03187	150.7
[M]+	225.05665	145.9
[M]-	225.05775	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.