CID 3604138

1-phenyl-3-propylurea

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CCCNC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C10H14N2O/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13)

InChIKey

NKOFPGOHUMCOLQ-UHFFFAOYSA-N

Compound name

1-phenyl-3-propylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 178.11061 Da
Monoisotopic Mass: 2.2
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]+	179.11789	140.3
[M+Na]+	201.09983	150.7
[M+NH4]+	196.14443	148.3
[M+K]+	217.07377	144.4
[M-H]-	177.10333	143.1
[M+Na-2H]-	199.08528	147.1
[M]+	178.11006	142.3
[M]-	178.11116	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe