CID 54683395

Schembl14129843

Structural Information

Molecular Formula
C21H16FN3O3
SMILES
CC1=CN(C(=O)C2=C(C(=O)C(=CN12)C3=CC=CC=N3)O)CC4=CC(=CC=C4)F
InChI
InChI=1S/C21H16FN3O3/c1-13-10-24(11-14-5-4-6-15(22)9-14)21(28)18-20(27)19(26)16(12-25(13)18)17-7-2-3-8-23-17/h2-10,12,27H,11H2,1H3
InChIKey
FUXJYFYKCGRNEV-UHFFFAOYSA-N
Compound name
2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-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

377.11758 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12486 192.0
[M+Na]+ 400.10680 204.1
[M-H]- 376.11030 197.3
[M+NH4]+ 395.15140 200.1
[M+K]+ 416.08074 195.9
[M+H-H2O]+ 360.11484 179.2
[M+HCOO]- 422.11578 208.6
[M+CH3COO]- 436.13143 201.6
[M+Na-2H]- 398.09225 195.2
[M]+ 377.11703 193.4
[M]- 377.11813 193.4
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.