CID 54705286

Schembl14129899

Structural Information

Molecular Formula
C16H13ClN2O4
SMILES
COC1=CC(=CC(=C1)CN2C=CN3C=CC(=O)C(=C3C2=O)O)Cl
InChI
InChI=1S/C16H13ClN2O4/c1-23-12-7-10(6-11(17)8-12)9-19-5-4-18-3-2-13(20)15(21)14(18)16(19)22/h2-8,21H,9H2,1H3
InChIKey
WQJYJQYKWDHBCX-UHFFFAOYSA-N
Compound name
2-[(3-chloro-5-methoxyphenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

332.0564 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06368 171.5
[M+Na]+ 355.04562 184.3
[M-H]- 331.04912 176.4
[M+NH4]+ 350.09022 184.4
[M+K]+ 371.01956 178.1
[M+H-H2O]+ 315.05366 162.9
[M+HCOO]- 377.05460 187.0
[M+CH3COO]- 391.07025 206.6
[M+Na-2H]- 353.03107 176.4
[M]+ 332.05585 177.9
[M]- 332.05695 177.9
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