CID 54683371

Schembl14129913

Structural Information

Molecular Formula
C20H13F2N3O3
SMILES
C1=CC=NC(=C1)C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=C(C=C4)F)F
InChI
InChI=1S/C20H13F2N3O3/c21-14-5-4-12(9-15(14)22)10-25-8-7-24-11-13(16-3-1-2-6-23-16)18(26)19(27)17(24)20(25)28/h1-9,11,27H,10H2
InChIKey
WOMHROPXFPCQSJ-UHFFFAOYSA-N
Compound name
2-[(3,4-difluorophenyl)methyl]-9-hydroxy-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

381.0925 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.09978 190.8
[M+Na]+ 404.08172 203.4
[M-H]- 380.08522 194.9
[M+NH4]+ 399.12632 198.7
[M+K]+ 420.05566 194.9
[M+H-H2O]+ 364.08976 177.2
[M+HCOO]- 426.09070 206.6
[M+CH3COO]- 440.10635 200.2
[M+Na-2H]- 402.06717 193.9
[M]+ 381.09195 190.9
[M]- 381.09305 190.9
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

No patent data available for this compound.