CID 2063659

1-ethyl-3-phenyl-2-thiourea

Structural Information

Molecular Formula

C₉H₁₂N₂S

SMILES

CCNC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C9H12N2S/c1-2-10-9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12)

InChIKey

OROCFDLTBPBLFS-UHFFFAOYSA-N

Compound name

1-ethyl-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 189
Patents: 180.07211 Da
Monoisotopic Mass: 1.4
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]+	181.07939	138.5
[M+Na]+	203.06133	148.9
[M+NH4]+	198.10593	147.6
[M+K]+	219.03527	140.4
[M-H]-	179.06483	142.1
[M+Na-2H]-	201.04678	145.3
[M]+	180.07156	141.3
[M]-	180.07266	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe