CID 132277082

Ns00133236

Structural Information

Molecular Formula

C₁₆H₁₆FN₃O₄

SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CCN)C=O)F)C(=O)O

InChI

InChI=1S/C16H16FN3O4/c17-12-5-10-13(6-14(12)19(8-21)4-3-18)20(9-1-2-9)7-11(15(10)22)16(23)24/h5-9H,1-4,18H2,(H,23,24)

InChIKey

UTEYNEDTRLNFRE-UHFFFAOYSA-N

Compound name

7-[2-aminoethyl(formyl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 333.1125 Da
Monoisotopic Mass: -2.1
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]+	334.119776	172.9
[M+Na]+	356.101718	182.9
[M-H]-	332.105224	178.5
[M+NH4]+	351.146323	181.1
[M+K]+	372.075658	177.2
[M+H-H2O]+	316.109760	164.2
[M+HCOO]-	378.110701	193.4
[M+CH3COO]-	392.126351	219.0
[M+Na-2H]-	354.087166	174.5
[M]+	333.11195142	176.6
[M]-	333.11304858	176.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.