CID 54705351

Schembl14129830

Structural Information

Molecular Formula
C20H16FN3O3
SMILES
C1CN(C(=O)C2=C(C(=O)C(=CN21)C3=CC=CC=N3)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C20H16FN3O3/c21-14-6-4-13(5-7-14)11-24-10-9-23-12-15(16-3-1-2-8-22-16)18(25)19(26)17(23)20(24)27/h1-8,12,26H,9-11H2
InChIKey
HUHLGJMKMORWGD-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

365.11758 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12486 188.0
[M+Na]+ 388.10680 197.7
[M-H]- 364.11030 192.3
[M+NH4]+ 383.15140 196.2
[M+K]+ 404.08074 190.0
[M+H-H2O]+ 348.11484 175.2
[M+HCOO]- 410.11578 202.3
[M+CH3COO]- 424.13143 196.7
[M+Na-2H]- 386.09225 190.7
[M]+ 365.11703 185.9
[M]- 365.11813 185.9
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