CID 54692267

Schembl4494967

Structural Information

Molecular Formula
C17H16FN3O4
SMILES
CNC(=O)C1=C2CCN(C(=O)C2=C(C(=O)N1)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C17H16FN3O4/c1-19-15(23)13-11-6-7-21(8-9-2-4-10(18)5-3-9)17(25)12(11)14(22)16(24)20-13/h2-5,22H,6-8H2,1H3,(H,19,23)(H,20,24)
InChIKey
UNMQZVVGEPLSRF-UHFFFAOYSA-N
Compound name
6-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

345.1125 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11978 178.7
[M+Na]+ 368.10172 187.1
[M-H]- 344.10522 180.2
[M+NH4]+ 363.14632 188.7
[M+K]+ 384.07566 181.2
[M+H-H2O]+ 328.10976 168.8
[M+HCOO]- 390.11070 193.3
[M+CH3COO]- 404.12635 212.0
[M+Na-2H]- 366.08717 180.1
[M]+ 345.11195 175.7
[M]- 345.11305 175.7
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