CID 4539

Norfloxacin

Structural Information

Molecular Formula
C16H18FN3O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O
InChI
InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
InChIKey
OGJPXUAPXNRGGI-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4510
References

63941
Patents

319.1332 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14048 175.1
[M+Na]+ 342.12242 182.8
[M-H]- 318.12592 174.5
[M+NH4]+ 337.16702 184.9
[M+K]+ 358.09636 176.6
[M+H-H2O]+ 302.13046 164.7
[M+HCOO]- 364.13140 185.8
[M+CH3COO]- 378.14705 204.6
[M+Na-2H]- 340.10787 175.9
[M]+ 319.13265 170.3
[M]- 319.13375 170.3
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.