CID 25124592

5-(3-methoxyphenyl)-1h-imidazole-2-thiol

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

COC1=CC=CC(=C1)C2=CNC(=S)N2

InChI

InChI=1S/C10H10N2OS/c1-13-8-4-2-3-7(5-8)9-6-11-10(14)12-9/h2-6H,1H3,(H2,11,12,14)

InChIKey

NAHCKRAVJDCJKM-UHFFFAOYSA-N

Compound name

4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 206.05139 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]+	207.058666	142.2
[M+Na]+	229.040608	152.6
[M-H]-	205.044114	144.7
[M+NH4]+	224.085213	160.0
[M+K]+	245.014548	146.8
[M+H-H2O]+	189.048650	135.7
[M+HCOO]-	251.049591	158.6
[M+CH3COO]-	265.065241	154.9
[M+Na-2H]-	227.026056	144.1
[M]+	206.05084142	142.0
[M]-	206.05193858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe