CID 54683351

Schembl4324941

Structural Information

Molecular Formula
C20H14ClN3O3
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=CN=CC=C4
InChI
InChI=1S/C20H14ClN3O3/c21-15-5-1-3-13(9-15)11-24-8-7-23-12-16(14-4-2-6-22-10-14)18(25)19(26)17(23)20(24)27/h1-10,12,26H,11H2
InChIKey
YJMPEKFSUZMOKV-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyridin-3-ylpyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

379.07236 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07964 188.3
[M+Na]+ 402.06158 200.5
[M-H]- 378.06508 194.4
[M+NH4]+ 397.10618 197.0
[M+K]+ 418.03552 191.9
[M+H-H2O]+ 362.06962 176.8
[M+HCOO]- 424.07056 201.7
[M+CH3COO]- 438.08621 198.2
[M+Na-2H]- 400.04703 193.1
[M]+ 379.07181 192.2
[M]- 379.07291 192.2
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

No patent data available for this compound.