CID 10545706

150728-13-5

Structural Information

Molecular Formula

C₁₅H₁₀Cl₂N₄O₂

SMILES

COC1=CC=CC=C1OC2=C(N=C(N=C2Cl)C3=NC=CC=N3)Cl

InChI

InChI=1S/C15H10Cl2N4O2/c1-22-9-5-2-3-6-10(9)23-11-12(16)20-15(21-13(11)17)14-18-7-4-8-19-14/h2-8H,1H3

InChIKey

IZGOBGVYADHVKH-UHFFFAOYSA-N

Compound name

4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 195
Patents: 348.01807 Da
Monoisotopic Mass: 3.6
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]+	349.02535	176.4
[M+Na]+	371.00729	195.8
[M+NH4]+	366.05189	183.8
[M+K]+	386.98123	186.5
[M-H]-	347.01079	181.0
[M+Na-2H]-	368.99274	187.8
[M]+	348.01752	181.3
[M]-	348.01862	181.3

Literature stripe

literature stripe

Patent stripe

patents stripe