CID 135574819

2-hydroxy-3-phenyl-4h-pyrazino(1,2-a)pyrimidin-4-one

Structural Information

Molecular Formula
C13H9N3O2
SMILES
C1=CC=C(C=C1)C2=C(N=C3C=NC=CN3C2=O)O
InChI
InChI=1S/C13H9N3O2/c17-12-11(9-4-2-1-3-5-9)13(18)16-7-6-14-8-10(16)15-12/h1-8,17H
InChIKey
BHBLOBRJLDMUNP-UHFFFAOYSA-N
Compound name
2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06947 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.076746 152.0
[M+Na]+ 262.058688 163.0
[M-H]- 238.062194 155.1
[M+NH4]+ 257.103293 165.8
[M+K]+ 278.032628 157.4
[M+H-H2O]+ 222.066730 142.5
[M+HCOO]- 284.067671 171.4
[M+CH3COO]- 298.083321 164.1
[M+Na-2H]- 260.044136 161.1
[M]+ 239.06892142 152.3
[M]- 239.07001858 152.3
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

patents stripe