CID 497723

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

Structural Information

Molecular Formula
C23H23FN4O4
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCN(CC3)CC(=O)C4=CC=CC=C4)F)C(=O)O
InChI
InChI=1S/C23H23FN4O4/c1-2-27-13-17(23(31)32)20(30)16-12-18(24)22(25-21(16)27)28-10-8-26(9-11-28)14-19(29)15-6-4-3-5-7-15/h3-7,12-13H,2,8-11,14H2,1H3,(H,31,32)
InChIKey
FGASMLBYWVVBON-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-(4-phenacylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.17032 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17760 206.7
[M+Na]+ 461.15954 213.2
[M-H]- 437.16304 208.8
[M+NH4]+ 456.20414 209.9
[M+K]+ 477.13348 206.2
[M+H-H2O]+ 421.16758 193.0
[M+HCOO]- 483.16852 215.3
[M+CH3COO]- 497.18417 230.3
[M+Na-2H]- 459.14499 205.1
[M]+ 438.16977 204.2
[M]- 438.17087 204.2
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

No patent data available for this compound.