CID 84257

14205-65-3

Structural Information

Molecular Formula

C₁₃H₁₁NO₅

SMILES

CCOC(=O)C1=CNC2=CC3=C(C=C2C1=O)OCO3

InChI

InChI=1S/C13H11NO5/c1-2-17-13(16)8-5-14-9-4-11-10(18-6-19-11)3-7(9)12(8)15/h3-5H,2,6H2,1H3,(H,14,15)

InChIKey

VZKWWMFVWHSLHK-UHFFFAOYSA-N

Compound name

ethyl 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 76
Patents: 261.06372 Da
Monoisotopic Mass: 1.8
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]+	262.07100	154.2
[M+Na]+	284.05294	166.9
[M+NH4]+	279.09754	161.1
[M+K]+	300.02688	164.4
[M-H]-	260.05644	157.0
[M+Na-2H]-	282.03839	156.4
[M]+	261.06317	156.6
[M]-	261.06427	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe