CID 2760408

1-phenyl-3-propylthiourea

Structural Information

Molecular Formula

C₁₀H₁₄N₂S

SMILES

CCCNC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C10H14N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13)

InChIKey

HZPCVTKJHKWEDX-UHFFFAOYSA-N

Compound name

1-phenyl-3-propylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 11
Patents: 194.08777 Da
Monoisotopic Mass: 1.9
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]+	195.09505	142.8
[M+Na]+	217.07699	153.1
[M+NH4]+	212.12159	151.8
[M+K]+	233.05093	144.3
[M-H]-	193.08049	146.4
[M+Na-2H]-	215.06244	149.4
[M]+	194.08722	145.6
[M]-	194.08832	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe