CID 10890900

1-benzoylamino-5-cyano-2-hydroxy-4-methyl-6-pyridone

Structural Information

Molecular Formula

C₁₄H₁₁N₃O₃

SMILES

CC1=CC(=O)N(C(=C1C#N)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H11N3O3/c1-9-7-12(18)17(14(20)11(9)8-15)16-13(19)10-5-3-2-4-6-10/h2-7,20H,1H3,(H,16,19)

InChIKey

QTKPSZBJEKKXHO-UHFFFAOYSA-N

Compound name

N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 269.08005 Da
Monoisotopic Mass: 1.3
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]+	270.087326	163.9
[M+Na]+	292.069268	174.4
[M-H]-	268.072774	167.4
[M+NH4]+	287.113873	176.3
[M+K]+	308.043208	169.7
[M+H-H2O]+	252.077310	149.3
[M+HCOO]-	314.078251	182.4
[M+CH3COO]-	328.093901	208.6
[M+Na-2H]-	290.054716	166.7
[M]+	269.07950142	158.9
[M]-	269.08059858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe