CID 204268

16018-69-2

Structural Information

Molecular Formula

C₁₃H₁₄N₄O

SMILES

CC1=CC(=NC(=N1)NC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C13H14N4O/c1-9-8-10(2)15-12(14-9)17-13(18)16-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,14,15,16,17,18)

InChIKey

MPVBQYNJWXEWMM-UHFFFAOYSA-N

Compound name

1-(4,6-dimethylpyrimidin-2-yl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 242.11676 Da
Monoisotopic Mass: 1.9
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]+	243.12404	155.3
[M+Na]+	265.10598	168.5
[M+NH4]+	260.15058	162.5
[M+K]+	281.07992	161.9
[M-H]-	241.10948	159.4
[M+Na-2H]-	263.09143	164.4
[M]+	242.11621	158.2
[M]-	242.11731	158.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.