CID 54683654

Schembl4320677

Structural Information

Molecular Formula
C15H10Cl2N2O3
SMILES
C1=CC(=C(C=C1CN2C=CN3C=CC(=O)C(=C3C2=O)O)Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O3/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/h1-7,21H,8H2
InChIKey
QQQGQPABKLAUHN-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

336.00684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.01412 168.8
[M+Na]+ 358.99606 182.5
[M-H]- 334.99956 173.0
[M+NH4]+ 354.04066 182.2
[M+K]+ 374.97000 174.9
[M+H-H2O]+ 319.00410 161.1
[M+HCOO]- 381.00504 179.4
[M+CH3COO]- 395.02069 180.5
[M+Na-2H]- 356.98151 173.4
[M]+ 336.00629 174.7
[M]- 336.00739 174.7
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