CID 49773869

1-cyclopropyl-6-fluoro-4-hydroxy-7-piperazin-1-yl-4h-quinoline-3-carboxylic acid

Structural Information

Molecular Formula

C₁₇H₂₀FN₃O₃

SMILES

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

InChI

InChI=1S/C17H20FN3O3/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/h7-10,16,19,22H,1-6H2,(H,23,24)

InChIKey

KYDHHQPEUCVMGV-UHFFFAOYSA-N

Compound name

1-cyclopropyl-6-fluoro-4-hydroxy-7-piperazin-1-yl-4H-quinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 333.14886 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]+	334.156136	182.5
[M+Na]+	356.138078	190.0
[M-H]-	332.141584	183.6
[M+NH4]+	351.182683	186.4
[M+K]+	372.112018	182.0
[M+H-H2O]+	316.146120	172.4
[M+HCOO]-	378.147061	190.7
[M+CH3COO]-	392.162711	188.9
[M+Na-2H]-	354.123526	181.4
[M]+	333.14831142	177.0
[M]-	333.14940858	177.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe