CID 723631

N-methyl-n-phenylthiourea

Structural Information

Molecular Formula

C₈H₁₀N₂S

SMILES

CN(C1=CC=CC=C1)C(=S)N

InChI

InChI=1S/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)

InChIKey

MCWZNJNWGQPUGL-UHFFFAOYSA-N

Compound name

1-methyl-1-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 180
Patents: 166.05647 Da
Monoisotopic Mass: 0.9
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]+	167.063746	133.9
[M+Na]+	189.045688	140.4
[M-H]-	165.049194	138.6
[M+NH4]+	184.090293	154.6
[M+K]+	205.019628	138.4
[M+H-H2O]+	149.053730	127.4
[M+HCOO]-	211.054671	154.3
[M+CH3COO]-	225.070321	183.9
[M+Na-2H]-	187.031136	137.0
[M]+	166.05592142	132.8
[M]-	166.05701858	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe