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: 64432
Patents: 319.1332 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	320.140476	175.1
[M+Na]+	342.122418	182.8
[M-H]-	318.125924	174.5
[M+NH4]+	337.167023	184.9
[M+K]+	358.096358	176.6
[M+H-H2O]+	302.130460	164.7
[M+HCOO]-	364.131401	185.8
[M+CH3COO]-	378.147051	204.6
[M+Na-2H]-	340.107866	175.9
[M]+	319.13265142	170.3
[M]-	319.13374858	170.3

Literature stripe

literature stripe

Patent stripe

patents stripe