CID 54683582

Schembl14129729

Structural Information

Molecular Formula
C15H11ClN2O3
SMILES
C1=CC(=CC=C1CN2C=CN3C=CC(=O)C(=C3C2=O)O)Cl
InChI
InChI=1S/C15H11ClN2O3/c16-11-3-1-10(2-4-11)9-18-8-7-17-6-5-12(19)14(20)13(17)15(18)21/h1-8,20H,9H2
InChIKey
QKONLXQIQGOYDE-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

302.0458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05308 164.0
[M+Na]+ 325.03502 176.7
[M-H]- 301.03852 168.7
[M+NH4]+ 320.07962 178.1
[M+K]+ 341.00896 169.8
[M+H-H2O]+ 285.04306 155.7
[M+HCOO]- 347.04400 179.8
[M+CH3COO]- 361.05965 176.2
[M+Na-2H]- 323.02047 170.2
[M]+ 302.04525 168.3
[M]- 302.04635 168.3
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