CID 5744078

90679-45-1

Structural Information

Molecular Formula
C16H12FN3O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)C3=CC=NC=C3)F)C(=O)O
InChI
InChI=1S/C16H12FN3O3/c1-2-20-8-11(16(22)23)14(21)10-7-12(17)13(19-15(10)20)9-3-5-18-6-4-9/h3-8H,2H2,1H3,(H,22,23)
InChIKey
YJSTUBCUUJBJGH-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

313.08627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09355 171.1
[M+Na]+ 336.07549 182.3
[M-H]- 312.07899 173.1
[M+NH4]+ 331.12009 182.1
[M+K]+ 352.04943 176.3
[M+H-H2O]+ 296.08353 160.4
[M+HCOO]- 358.08447 187.6
[M+CH3COO]- 372.10012 205.7
[M+Na-2H]- 334.06094 175.4
[M]+ 313.08572 172.4
[M]- 313.08682 172.4
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

No patent data available for this compound.