CID 54705347

Schembl4326952

Structural Information

Molecular Formula
C17H16FN3O4
SMILES
CNC(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C17H16FN3O4/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/h2-5,9,23H,6-8H2,1H3,(H,19,24)
InChIKey
RQDWTHSJUUQANS-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

345.1125 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11978 178.4
[M+Na]+ 368.10172 187.2
[M-H]- 344.10522 181.2
[M+NH4]+ 363.14632 189.1
[M+K]+ 384.07566 182.0
[M+H-H2O]+ 328.10976 168.1
[M+HCOO]- 390.11070 194.5
[M+CH3COO]- 404.12635 214.1
[M+Na-2H]- 366.08717 180.2
[M]+ 345.11195 177.1
[M]- 345.11305 177.1
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