CID 221427

2327-17-5

Structural Information

Molecular Formula

C₁₂H₁₁N₃O

SMILES

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

InChI

InChI=1S/C12H11N3O/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)

InChIKey

FDMIXRXCYIIUDY-UHFFFAOYSA-N

Compound name

1-phenyl-3-pyridin-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 35
Patents: 213.09021 Da
Monoisotopic Mass: 2.0
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]+	214.09749	145.0
[M+Na]+	236.07943	150.9
[M-H]-	212.08293	150.3
[M+NH4]+	231.12403	161.2
[M+K]+	252.05337	147.6
[M+H-H2O]+	196.08747	136.5
[M+HCOO]-	258.08841	170.3
[M+CH3COO]-	272.10406	189.2
[M+Na-2H]-	234.06488	154.1
[M]+	213.08966	142.5
[M]-	213.09076	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe