CID 25124264

Schembl638407

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

C1=CC(=CC=C1CO)C2=CNC(=S)N2

InChI

InChI=1S/C10H10N2OS/c13-6-7-1-3-8(4-2-7)9-5-11-10(14)12-9/h1-5,13H,6H2,(H2,11,12,14)

InChIKey

BTFQSXRRGYWCHB-UHFFFAOYSA-N

Compound name

4-[4-(hydroxymethyl)phenyl]-1,3-dihydroimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 206.05139 Da
Monoisotopic Mass: 0.5
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]+	207.058666	142.5
[M+Na]+	229.040608	152.4
[M-H]-	205.044114	143.6
[M+NH4]+	224.085213	159.5
[M+K]+	245.014548	145.7
[M+H-H2O]+	189.048650	136.3
[M+HCOO]-	251.049591	157.4
[M+CH3COO]-	265.065241	154.4
[M+Na-2H]-	227.026056	144.0
[M]+	206.05084142	140.4
[M]-	206.05193858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe