CID 84257

Ethyl 8-hydroxy-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

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
2
Annotation Hits

1
References

91
Patents

261.06372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.070996 153.1
[M+Na]+ 284.052938 162.9
[M-H]- 260.056444 157.8
[M+NH4]+ 279.097543 169.2
[M+K]+ 300.026878 161.9
[M+H-H2O]+ 244.060980 147.0
[M+HCOO]- 306.061921 171.0
[M+CH3COO]- 320.077571 192.1
[M+Na-2H]- 282.038386 159.6
[M]+ 261.06317142 157.5
[M]- 261.06426858 157.5
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