CID 54683361

Schembl14129745

Structural Information

Molecular Formula
C15H12Cl2N2O3
SMILES
C1CN(C(=O)C2=C(C(=O)C=CN21)O)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H12Cl2N2O3/c16-10-2-1-9(7-11(10)17)8-19-6-5-18-4-3-12(20)14(21)13(18)15(19)22/h1-4,7,21H,5-6,8H2
InChIKey
HCILOGLPSNOXFO-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

338.0225 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02978 171.0
[M+Na]+ 361.01172 182.8
[M-H]- 337.01522 174.4
[M+NH4]+ 356.05632 184.1
[M+K]+ 376.98566 175.5
[M+H-H2O]+ 321.01976 163.4
[M+HCOO]- 383.02070 178.8
[M+CH3COO]- 397.03635 181.6
[M+Na-2H]- 358.99717 173.7
[M]+ 338.02195 174.1
[M]- 338.02305 174.1
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