CID 483594

100505-13-3

Structural Information

Molecular Formula
C16H19FN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNC(C3)C)F)C(=O)O
InChI
InChI=1S/C16H19FN4O3/c1-3-20-8-11(16(23)24)13(22)10-6-12(17)15(19-14(10)20)21-5-4-18-9(2)7-21/h6,8-9,18H,3-5,7H2,1-2H3,(H,23,24)
InChIKey
CTWWBBSFJSJIDU-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.1441 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15138 181.4
[M+Na]+ 357.13332 190.0
[M-H]- 333.13682 179.8
[M+NH4]+ 352.17792 189.5
[M+K]+ 373.10726 183.5
[M+H-H2O]+ 317.14136 170.5
[M+HCOO]- 379.14230 190.6
[M+CH3COO]- 393.15795 208.9
[M+Na-2H]- 355.11877 181.3
[M]+ 334.14355 177.6
[M]- 334.14465 177.6
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.