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

literature stripe

Patent stripe

patents stripe