CID 2759508

15093-36-4

Structural Information

Molecular Formula

C₁₀H₁₄N₂S

SMILES

CC(C)NC(=S)NC1=CC=CC=C1

InChI

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

InChIKey

LFBMRUOVWMEFFZ-UHFFFAOYSA-N

Compound name

1-phenyl-3-propan-2-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 194.08777 Da
Monoisotopic Mass: 2.3
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]+	195.09505	142.8
[M+Na]+	217.07699	148.1
[M-H]-	193.08049	146.2
[M+NH4]+	212.12159	162.0
[M+K]+	233.05093	145.0
[M+H-H2O]+	177.08503	136.2
[M+HCOO]-	239.08597	161.6
[M+CH3COO]-	253.10162	187.3
[M+Na-2H]-	215.06244	145.5
[M]+	194.08722	141.5
[M]-	194.08832	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe