CID 170455978

1-cyclopropyl-6-fluoro-4-oxo-7-[2-(2-oxoethylamino)ethylamino]quinoline-3-carboxylic acid

Structural Information

Molecular Formula

C₁₇H₁₈FN₃O₄

SMILES

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

InChI

InChI=1S/C17H18FN3O4/c18-13-7-11-15(8-14(13)20-4-3-19-5-6-22)21(10-1-2-10)9-12(16(11)23)17(24)25/h6-10,19-20H,1-5H2,(H,24,25)

InChIKey

VVSOAHFGFVSNGE-UHFFFAOYSA-N

Compound name

1-cyclopropyl-6-fluoro-4-oxo-7-[2-(2-oxoethylamino)ethylamino]quinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 347.12814 Da
Monoisotopic Mass: -1.5
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]+	348.135416	176.0
[M+Na]+	370.117358	185.6
[M-H]-	346.120864	180.6
[M+NH4]+	365.161963	183.4
[M+K]+	386.091298	178.7
[M+H-H2O]+	330.125400	167.2
[M+HCOO]-	392.126341	196.4
[M+CH3COO]-	406.141991	219.3
[M+Na-2H]-	368.102806	179.0
[M]+	347.12759142	179.9
[M]-	347.12868858	179.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.