CID 3867896

N-(2,6-dimethoxy-4-pyrimidinyl)benzamide

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃

SMILES

COC1=NC(=NC(=C1)NC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C13H13N3O3/c1-18-11-8-10(15-13(16-11)19-2)14-12(17)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)

InChIKey

KHTWANKRBONEDH-UHFFFAOYSA-N

Compound name

N-(2,6-dimethoxypyrimidin-4-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 259.0957 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]+	260.102976	156.9
[M+Na]+	282.084918	164.8
[M-H]-	258.088424	161.3
[M+NH4]+	277.129523	170.5
[M+K]+	298.058858	162.2
[M+H-H2O]+	242.092960	147.5
[M+HCOO]-	304.093901	179.8
[M+CH3COO]-	318.109551	197.2
[M+Na-2H]-	280.070366	163.5
[M]+	259.09515142	159.5
[M]-	259.09624858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe