CID 2764

Ciprofloxacin

Structural Information

Molecular Formula

C₁₇H₁₈FN₃O₃

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

compound 2d structure

9
Annotation Hits: 24870
References: 101680
Patents: 331.1332 Da
Monoisotopic Mass: -1.1
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]+	332.14048	182.5
[M+Na]+	354.12242	191.6
[M-H]-	330.12592	185.3
[M+NH4]+	349.16702	187.1
[M+K]+	370.09636	183.6
[M+H-H2O]+	314.13046	172.1
[M+HCOO]-	376.13140	193.7
[M+CH3COO]-	390.14705	190.1
[M+Na-2H]-	352.10787	182.6
[M]+	331.13265	179.3
[M]-	331.13375	179.3

Literature stripe

literature stripe

Patent stripe

patents stripe