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

4500
References

65582
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

literature stripe

Patent stripe

patents stripe