CID 2762

Cinoxacin

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₅

SMILES

CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3

InChI

InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)

InChIKey

VDUWPHTZYNWKRN-UHFFFAOYSA-N

Compound name

1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 201
References: 13826
Patents: 262.05896 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]+	263.06624	154.7
[M+Na]+	285.04818	167.7
[M+NH4]+	280.09278	160.9
[M+K]+	301.02212	165.9
[M-H]-	261.05168	156.8
[M+Na-2H]-	283.03363	156.4
[M]+	262.05841	157.0
[M]-	262.05951	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe