CID 54683507

Schembl14129756

Structural Information

Molecular Formula
C20H14FN3O3
SMILES
C1=CC(=CC=C1CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=CC=NC=C4)F
InChI
InChI=1S/C20H14FN3O3/c21-15-3-1-13(2-4-15)11-24-10-9-23-12-16(14-5-7-22-8-6-14)18(25)19(26)17(23)20(24)27/h1-10,12,26H,11H2
InChIKey
HCQULECLTQKYLR-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

363.10193 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10921 186.8
[M+Na]+ 386.09115 198.4
[M-H]- 362.09465 191.8
[M+NH4]+ 381.13575 195.2
[M+K]+ 402.06509 190.3
[M+H-H2O]+ 346.09919 173.9
[M+HCOO]- 408.10013 203.7
[M+CH3COO]- 422.11578 196.5
[M+Na-2H]- 384.07660 191.3
[M]+ 363.10138 187.4
[M]- 363.10248 187.4
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

patents stripe