CID 3057926

1,8-naphthyridine-3-carboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-

Structural Information

Molecular Formula
C16H19FN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCN(CC3)C)F)C(=O)O
InChI
InChI=1S/C16H19FN4O3/c1-3-20-9-11(16(23)24)13(22)10-8-12(17)15(18-14(10)20)21-6-4-19(2)5-7-21/h8-9H,3-7H2,1-2H3,(H,23,24)
InChIKey
FCONEOCTYUVTEG-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

334.1441 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15138 180.8
[M+Na]+ 357.13332 189.9
[M-H]- 333.13682 180.6
[M+NH4]+ 352.17792 189.6
[M+K]+ 373.10726 184.1
[M+H-H2O]+ 317.14136 169.6
[M+HCOO]- 379.14230 191.6
[M+CH3COO]- 393.15795 211.0
[M+Na-2H]- 355.11877 181.2
[M]+ 334.14355 178.8
[M]- 334.14465 178.8
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