CID 698294

1-methyl-3-phenylthiourea

Structural Information

Molecular Formula

C₈H₁₀N₂S

SMILES

CNC(=S)NC1=CC=CC=C1

InChI

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

InChIKey

IGEQFPWPMCIYDF-UHFFFAOYSA-N

Compound name

1-methyl-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 361
Patents: 166.05647 Da
Monoisotopic Mass: 1.7
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]+	167.06375	134.1
[M+Na]+	189.04569	144.8
[M+NH4]+	184.09029	143.4
[M+K]+	205.01963	136.4
[M-H]-	165.04919	137.7
[M+Na-2H]-	187.03114	141.2
[M]+	166.05592	136.9
[M]-	166.05702	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe