CID 15097883

87939-21-7

Structural Information

Molecular Formula

C₁₃H₁₅FN₄O₃

SMILES

CCN1C=C(C(=O)C2=CC(=C(N=C21)NCCN)F)C(=O)O

InChI

InChI=1S/C13H15FN4O3/c1-2-18-6-8(13(20)21)10(19)7-5-9(14)11(16-4-3-15)17-12(7)18/h5-6H,2-4,15H2,1H3,(H,16,17)(H,20,21)

InChIKey

RKKNAOHQSRYDHF-UHFFFAOYSA-N

Compound name

7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 294.11282 Da
Monoisotopic Mass: -0.6
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]+	295.120096	165.4
[M+Na]+	317.102038	174.9
[M-H]-	293.105544	165.1
[M+NH4]+	312.146643	178.2
[M+K]+	333.075978	170.4
[M+H-H2O]+	277.110080	156.4
[M+HCOO]-	339.111021	184.5
[M+CH3COO]-	353.126671	207.9
[M+Na-2H]-	315.087486	168.8
[M]+	294.11227142	165.4
[M]-	294.11336858	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe