CID 3039084

Brn 0825920

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₄

SMILES

COC1=CC=C(C=C1)C(=O)C(NC(=O)C2=NC=CN=C2)O

InChI

InChI=1S/C14H13N3O4/c1-21-10-4-2-9(3-5-10)12(18)14(20)17-13(19)11-8-15-6-7-16-11/h2-8,14,20H,1H3,(H,17,19)

InChIKey

WAJBONIXHLMSAK-UHFFFAOYSA-N

Compound name

N-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.0906 Da
Monoisotopic Mass: 0.2
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]+	288.097876	163.0
[M+Na]+	310.079818	168.5
[M-H]-	286.083324	165.7
[M+NH4]+	305.124423	174.0
[M+K]+	326.053758	166.0
[M+H-H2O]+	270.087860	153.5
[M+HCOO]-	332.088801	182.4
[M+CH3COO]-	346.104451	199.8
[M+Na-2H]-	308.065266	167.2
[M]+	287.09005142	163.2
[M]-	287.09114858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.