CID 790717

35466-43-4

Structural Information

Molecular Formula

C₁₃H₁₃N₃O

SMILES

CC1=CC(=NC=C1)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O/c1-10-7-8-14-12(9-10)16-13(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,14,15,16,17)

InChIKey

GWDWFQFGUPNAER-UHFFFAOYSA-N

Compound name

1-(4-methylpyridin-2-yl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 227.10587 Da
Monoisotopic Mass: 2.1
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]+	228.11315	150.1
[M+Na]+	250.09509	156.5
[M-H]-	226.09859	155.6
[M+NH4]+	245.13969	166.0
[M+K]+	266.06903	152.9
[M+H-H2O]+	210.10313	141.5
[M+HCOO]-	272.10407	175.1
[M+CH3COO]-	286.11972	193.4
[M+Na-2H]-	248.08054	157.8
[M]+	227.10532	148.3
[M]-	227.10642	148.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.