CID 12733924

75001-77-3

Structural Information

Molecular Formula
C14H16FN3O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)NCCN)F)C(=O)O
InChI
InChI=1S/C14H16FN3O3/c1-2-18-7-9(14(20)21)13(19)8-5-10(15)11(6-12(8)18)17-4-3-16/h5-7,17H,2-4,16H2,1H3,(H,20,21)
InChIKey
LPCBOASHZANLJB-UHFFFAOYSA-N
Compound name
7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11
Patents

293.11758 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12486 164.8
[M+Na]+ 316.10680 173.9
[M-H]- 292.11030 165.7
[M+NH4]+ 311.15140 179.1
[M+K]+ 332.08074 169.4
[M+H-H2O]+ 276.11484 156.5
[M+HCOO]- 338.11578 184.9
[M+CH3COO]- 352.13143 208.1
[M+Na-2H]- 314.09225 167.6
[M]+ 293.11703 164.7
[M]- 293.11813 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe