CID 484840

1-ethyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C19H19FN6O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCN(CC3)C4=NC=CC=N4)F)C(=O)O
InChI
InChI=1S/C19H19FN6O3/c1-2-24-11-13(18(28)29)15(27)12-10-14(20)17(23-16(12)24)25-6-8-26(9-7-25)19-21-4-3-5-22-19/h3-5,10-11H,2,6-9H2,1H3,(H,28,29)
InChIKey
FQKMTWQXBOOJSV-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.15027 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15755 199.9
[M+Na]+ 421.13949 208.6
[M-H]- 397.14299 200.0
[M+NH4]+ 416.18409 202.3
[M+K]+ 437.11343 200.5
[M+H-H2O]+ 381.14753 185.5
[M+HCOO]- 443.14847 207.7
[M+CH3COO]- 457.16412 205.8
[M+Na-2H]- 419.12494 200.9
[M]+ 398.14972 196.9
[M]- 398.15082 196.9
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.