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]+ 240.07675 152.0
[M+Na]+ 262.05869 163.0
[M-H]- 238.06219 155.1
[M+NH4]+ 257.10329 165.8
[M+K]+ 278.03263 157.4
[M+H-H2O]+ 222.06673 142.5
[M+HCOO]- 284.06767 171.4
[M+CH3COO]- 298.08332 164.1
[M+Na-2H]- 260.04414 161.1
[M]+ 239.06892 152.3
[M]- 239.07002 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