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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 156.9
[M+Na]+ 279.07400 165.1
[M-H]- 255.07750 159.8
[M+NH4]+ 274.11860 170.2
[M+K]+ 295.04794 160.9
[M+H-H2O]+ 239.08204 148.0
[M+HCOO]- 301.08298 177.1
[M+CH3COO]- 315.09863 191.9
[M+Na-2H]- 277.05945 162.0
[M]+ 256.08423 158.0
[M]- 256.08533 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.