CID 6481023

2-hydroxy-4-methoxy-n-(4-methylpyrimidin-2-yl)benzamide

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃

SMILES

CC1=NC(=NC=C1)NC(=O)C2=C(C=C(C=C2)OC)O

InChI

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

InChIKey

PJZZLIPAQCDRDA-UHFFFAOYSA-N

Compound name

2-hydroxy-4-methoxy-N-(4-methylpyrimidin-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 259.0957 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]+	260.102976	157.7
[M+Na]+	282.084918	166.0
[M-H]-	258.088424	161.1
[M+NH4]+	277.129523	170.9
[M+K]+	298.058858	162.6
[M+H-H2O]+	242.092960	148.8
[M+HCOO]-	304.093901	179.1
[M+CH3COO]-	318.109551	196.0
[M+Na-2H]-	280.070366	163.0
[M]+	259.09515142	158.9
[M]-	259.09624858	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.