CID 54683316

Schembl4459361

Structural Information

Molecular Formula
C17H14FN3O4
SMILES
CNC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C17H14FN3O4/c1-19-16(24)12-9-20-6-7-21(8-10-2-4-11(18)5-3-10)17(25)13(20)15(23)14(12)22/h2-7,9,23H,8H2,1H3,(H,19,24)
InChIKey
ZVDHEQJOVJVVKA-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-N-methyl-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

343.09683 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10411 177.0
[M+Na]+ 366.08605 187.8
[M-H]- 342.08955 180.6
[M+NH4]+ 361.13065 188.0
[M+K]+ 382.05999 182.2
[M+H-H2O]+ 326.09409 166.6
[M+HCOO]- 388.09503 195.9
[M+CH3COO]- 402.11068 213.4
[M+Na-2H]- 364.07150 180.6
[M]+ 343.09628 178.5
[M]- 343.09738 178.5
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.