Ciprofloxacin (C17H18FN3O3)

Structural Information

Molecular Formula

SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)

InChIKey

MYSWGUAQZAJSOK-UHFFFAOYSA-N

Compound name

1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

Related CIDs

2D Structure

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]+	332.140476	182.5
[M+Na]+	354.122418	191.6
[M-H]-	330.125924	185.3
[M+NH4]+	349.167023	187.1
[M+K]+	370.096358	183.6
[M+H-H2O]+	314.130460	172.1
[M+HCOO]-	376.131401	193.7
[M+CH3COO]-	390.147051	190.1
[M+Na-2H]-	352.107866	182.6
[M]+	331.13265142	179.3
[M]-	331.13374858	179.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

332.140476

182.5

[M+Na]+

354.122418

191.6

[M-H]-

330.125924

185.3

[M+NH4]+

349.167023

187.1

[M+K]+

370.096358

183.6

[M+H-H2O]+

314.130460

172.1

[M+HCOO]-

376.131401

193.7

[M+CH3COO]-

390.147051

190.1

[M+Na-2H]-

352.107866

182.6

[M]+

331.13265142

179.3

[M]-

331.13374858

179.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Ciprofloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe