CID 3033143

Rd1519

Structural Information

Molecular Formula

C₉H₁₁N₃OS₂

SMILES

COC1=CC=CC=C1NC(=S)NC(=S)N

InChI

InChI=1S/C9H11N3OS2/c1-13-7-5-3-2-4-6(7)11-9(15)12-8(10)14/h2-5H,1H3,(H4,10,11,12,14,15)

InChIKey

ZIBFYLCVVBWTIO-UHFFFAOYSA-N

Compound name

1-carbamothioyl-3-(2-methoxyphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.03435 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]+	242.04163	149.5
[M+Na]+	264.02357	157.0
[M+NH4]+	259.06817	157.0
[M+K]+	279.99751	149.0
[M-H]-	240.02707	152.1
[M+Na-2H]-	262.00902	153.8
[M]+	241.03380	151.8
[M]-	241.03490	151.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.