CID 135602152

21271-32-9

Structural Information

Molecular Formula
C13H8ClN3O2
SMILES
C1=CC(=CC=C1C2=C(N=C3C=NC=CN3C2=O)O)Cl
InChI
InChI=1S/C13H8ClN3O2/c14-9-3-1-8(2-4-9)11-12(18)16-10-7-15-5-6-17(10)13(11)19/h1-7,18H
InChIKey
XGBIPLRDJSAQEU-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-hydroxypyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.03052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03780 157.4
[M+Na]+ 296.01974 169.9
[M-H]- 272.02324 160.4
[M+NH4]+ 291.06434 170.9
[M+K]+ 311.99368 163.0
[M+H-H2O]+ 256.02778 148.3
[M+HCOO]- 318.02872 172.0
[M+CH3COO]- 332.04437 169.3
[M+Na-2H]- 294.00519 165.2
[M]+ 273.02997 160.2
[M]- 273.03107 160.2
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