CID 306458

N-(6-methyl-2-pyridinyl)-n'-phenylurea

Structural Information

Molecular Formula

C₁₃H₁₃N₃O

SMILES

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

InChI

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

InChIKey

IGCMIVVIDBZYRE-UHFFFAOYSA-N

Compound name

1-(6-methylpyridin-2-yl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 5
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	151.5
[M+Na]+	250.09509	164.5
[M+NH4]+	245.13969	159.5
[M+K]+	266.06903	157.4
[M-H]-	226.09859	156.4
[M+Na-2H]-	248.08054	161.2
[M]+	227.10532	154.6
[M]-	227.10642	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe