CID 6474704

Chembl2288835

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C14H12N2O3/c1-19-14-8-10(3-5-13(14)18)2-4-12(17)11-9-15-6-7-16-11/h2-9,18H,1H3/b4-2+

InChIKey

UWNHCBULNGAWNS-DUXPYHPUSA-N

Compound name

(E)-3-(4-hydroxy-3-methoxyphenyl)-1-pyrazin-2-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.08478 Da
Monoisotopic Mass: 1.5
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]+	257.092056	156.9
[M+Na]+	279.073998	165.1
[M-H]-	255.077504	159.8
[M+NH4]+	274.118603	170.2
[M+K]+	295.047938	160.9
[M+H-H2O]+	239.082040	148.0
[M+HCOO]-	301.082981	177.1
[M+CH3COO]-	315.098631	191.9
[M+Na-2H]-	277.059446	162.0
[M]+	256.08423142	158.0
[M]-	256.08532858	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.