CID 170314

Droxacin

Structural Information

Molecular Formula

C₁₄H₁₃NO₄

SMILES

CCN1C=C(C(=O)C2=C1C=C3CCOC3=C2)C(=O)O

InChI

InChI=1S/C14H13NO4/c1-2-15-7-10(14(17)18)13(16)9-6-12-8(3-4-19-12)5-11(9)15/h5-7H,2-4H2,1H3,(H,17,18)

InChIKey

IIRVYWCKYUQJCL-UHFFFAOYSA-N

Compound name

5-ethyl-8-oxo-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 102
Patents: 259.08447 Da
Monoisotopic Mass: 2.4
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]+	260.09175	154.5
[M+Na]+	282.07369	164.7
[M-H]-	258.07719	158.8
[M+NH4]+	277.11829	172.3
[M+K]+	298.04763	162.0
[M+H-H2O]+	242.08173	148.5
[M+HCOO]-	304.08267	172.8
[M+CH3COO]-	318.09832	194.4
[M+Na-2H]-	280.05914	159.1
[M]+	259.08392	157.7
[M]-	259.08502	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe