CID 11045861

Oprea1_543864

Structural Information

Molecular Formula

C₁₇H₂₀FN₃O₃

SMILES

C1CC1N2CC(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)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/h7-8,10,12,19H,1-6,9H2,(H,23,24)

InChIKey

FJOTZBQCXMYTTL-UHFFFAOYSA-N

Compound name

1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-2,3-dihydroquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 333.14886 Da
Monoisotopic Mass: -0.3
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	184.8
[M+Na]+	356.138078	191.9
[M-H]-	332.141584	186.8
[M+NH4]+	351.182683	189.1
[M+K]+	372.112018	184.4
[M+H-H2O]+	316.146120	174.3
[M+HCOO]-	378.147061	193.1
[M+CH3COO]-	392.162711	191.2
[M+Na-2H]-	354.123526	182.9
[M]+	333.14831142	178.9
[M]-	333.14940858	178.9

Literature stripe

literature stripe

Patent stripe

patents stripe