CID 461448

Pd 120262

Structural Information

Molecular Formula
C15H12FN3O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3C=CC=C3)F)C(=O)O
InChI
InChI=1S/C15H12FN3O3/c1-2-18-8-10(15(21)22)12(20)9-7-11(16)14(17-13(9)18)19-5-3-4-6-19/h3-8H,2H2,1H3,(H,21,22)
InChIKey
ODQSNTBSSJBWED-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

301.08627 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09355 165.7
[M+Na]+ 324.07549 178.2
[M-H]- 300.07899 168.6
[M+NH4]+ 319.12009 179.3
[M+K]+ 340.04943 172.5
[M+H-H2O]+ 284.08353 156.1
[M+HCOO]- 346.08447 184.9
[M+CH3COO]- 360.10012 202.2
[M+Na-2H]- 322.06094 168.6
[M]+ 301.08572 169.0
[M]- 301.08682 169.0
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.