CID 3229

Enoxacin

Structural Information

Molecular Formula
C15H17FN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O
InChI
InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)
InChIKey
IDYZIJYBMGIQMJ-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

920
References

35680
Patents

320.12848 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13576 176.2
[M+Na]+ 343.11770 184.4
[M-H]- 319.12120 174.4
[M+NH4]+ 338.16230 184.6
[M+K]+ 359.09164 178.0
[M+H-H2O]+ 303.12574 165.3
[M+HCOO]- 365.12668 185.9
[M+CH3COO]- 379.14233 204.6
[M+Na-2H]- 341.10315 177.5
[M]+ 320.12793 171.6
[M]- 320.12903 171.6
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

patents stripe