CID 135602152

Brn 0545565

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.037796	157.4
[M+Na]+	296.019738	169.9
[M-H]-	272.023244	160.4
[M+NH4]+	291.064343	170.9
[M+K]+	311.993678	163.0
[M+H-H2O]+	256.027780	148.3
[M+HCOO]-	318.028721	172.0
[M+CH3COO]-	332.044371	169.3
[M+Na-2H]-	294.005186	165.2
[M]+	273.02997142	160.2
[M]-	273.03106858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe