CID 1278719

Urea, n-(3-hydroxy-2-pyridinyl)-n'-phenyl-

Structural Information

Molecular Formula

C₁₂H₁₁N₃O₂

SMILES

C1=CC=C(C=C1)NC(=O)NC2=C(C=CC=N2)O

InChI

InChI=1S/C12H11N3O2/c16-10-7-4-8-13-11(10)15-12(17)14-9-5-2-1-3-6-9/h1-8,16H,(H2,13,14,15,17)

InChIKey

MUTZXOUXSQXRGW-UHFFFAOYSA-N

Compound name

1-(3-hydroxypyridin-2-yl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 229.08513 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]+	230.09241	148.6
[M+Na]+	252.07435	154.8
[M-H]-	228.07785	152.8
[M+NH4]+	247.11895	163.5
[M+K]+	268.04829	151.3
[M+H-H2O]+	212.08239	140.2
[M+HCOO]-	274.08333	172.6
[M+CH3COO]-	288.09898	190.1
[M+Na-2H]-	250.05980	156.4
[M]+	229.08458	145.9
[M]-	229.08568	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe