CID 3069130

84338-99-8

Structural Information

Molecular Formula

C₁₆H₁₄FN₃O₃S

SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N4C=CSC4=C(C3=O)C(=O)O)F

InChI

InChI=1S/C16H14FN3O3S/c17-10-7-9-11(8-12(10)19-3-1-18-2-4-19)20-5-6-24-15(20)13(14(9)21)16(22)23/h5-8,18H,1-4H2,(H,22,23)

InChIKey

LJWAKCLLEGXTCW-UHFFFAOYSA-N

Compound name

7-fluoro-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 347.074 Da
Monoisotopic Mass: -0.2
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]+	348.081276	175.3
[M+Na]+	370.063218	185.6
[M-H]-	346.066724	176.7
[M+NH4]+	365.107823	187.7
[M+K]+	386.037158	178.5
[M+H-H2O]+	330.071260	167.1
[M+HCOO]-	392.072201	183.6
[M+CH3COO]-	406.087851	184.6
[M+Na-2H]-	368.048666	175.5
[M]+	347.07345142	174.7
[M]-	347.07454858	174.7

Literature stripe

literature stripe

Patent stripe

patents stripe