CID 54683347

Schembl4325044

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1=CC=C(C=C1)/C=C/CN2C=CN3C=CC(=O)C(=C3C2=O)O
InChI
InChI=1S/C17H14N2O3/c20-14-8-10-18-11-12-19(17(22)15(18)16(14)21)9-4-7-13-5-2-1-3-6-13/h1-8,10-12,21H,9H2/b7-4+
InChIKey
BOZYLCMVTFLOTC-QPJJXVBHSA-N
Compound name
9-hydroxy-2-[(E)-3-phenylprop-2-enyl]pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

294.10043 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 166.8
[M+Na]+ 317.08965 177.3
[M-H]- 293.09315 171.0
[M+NH4]+ 312.13425 179.8
[M+K]+ 333.06359 170.7
[M+H-H2O]+ 277.09769 157.3
[M+HCOO]- 339.09863 186.7
[M+CH3COO]- 353.11428 199.8
[M+Na-2H]- 315.07510 173.0
[M]+ 294.09988 168.3
[M]- 294.10098 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.