CID 6481024

Akos005898035

Structural Information

Molecular Formula

C₁₂H₁₁N₃O₃

SMILES

COC1=CC(=C(C=C1)C(=O)NC2=NC=CN=C2)O

InChI

InChI=1S/C12H11N3O3/c1-18-8-2-3-9(10(16)6-8)12(17)15-11-7-13-4-5-14-11/h2-7,16H,1H3,(H,14,15,17)

InChIKey

GAWXYBAMDQUETK-UHFFFAOYSA-N

Compound name

2-hydroxy-4-methoxy-N-pyrazin-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 245.08005 Da
Monoisotopic Mass: 1.1
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]+	246.08733	152.8
[M+Na]+	268.06927	160.6
[M-H]-	244.07277	156.0
[M+NH4]+	263.11387	166.2
[M+K]+	284.04321	157.4
[M+H-H2O]+	228.07731	143.8
[M+HCOO]-	290.07825	174.5
[M+CH3COO]-	304.09390	191.8
[M+Na-2H]-	266.05472	159.5
[M]+	245.07950	153.2
[M]-	245.08060	153.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.