CID 54683653

Schembl13892334

Structural Information

Molecular Formula
C15H11FN2O3
SMILES
C1=CC(=CC=C1CN2C=CN3C=CC(=O)C(=C3C2=O)O)F
InChI
InChI=1S/C15H11FN2O3/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
RGUQJEKWTPUCFQ-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

286.07538 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08266 161.8
[M+Na]+ 309.06460 173.9
[M-H]- 285.06810 165.4
[M+NH4]+ 304.10920 175.5
[M+K]+ 325.03854 167.8
[M+H-H2O]+ 269.07264 151.9
[M+HCOO]- 331.07358 181.1
[M+CH3COO]- 345.08923 173.8
[M+Na-2H]- 307.05005 167.7
[M]+ 286.07483 162.9
[M]- 286.07593 162.9
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