CID 4447317

2298-29-5

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)O

InChI

InChI=1S/C13H12N2O2/c16-12-8-6-11(7-9-12)15-13(17)14-10-4-2-1-3-5-10/h1-9,16H,(H2,14,15,17)

InChIKey

BNIXCWKOADUVSB-UHFFFAOYSA-N

Compound name

1-(4-hydroxyphenyl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 228.08987 Da
Monoisotopic Mass: 2.6
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]+	229.09715	151.2
[M+Na]+	251.07909	163.4
[M+NH4]+	246.12369	159.1
[M+K]+	267.05303	156.9
[M-H]-	227.08259	155.9
[M+Na-2H]-	249.06454	160.3
[M]+	228.08932	154.1
[M]-	228.09042	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe