CID 24209055

134478-69-6

Structural Information

Molecular Formula
C16H13NO5
SMILES
CCOC(=O)C1=CN(C2=CC3=C(C=C2C1=O)OCO3)CC#C
InChI
InChI=1S/C16H13NO5/c1-3-5-17-8-11(16(19)20-4-2)15(18)10-6-13-14(7-12(10)17)22-9-21-13/h1,6-8H,4-5,9H2,2H3
InChIKey
AOVDETYDSYJZFA-UHFFFAOYSA-N
Compound name
ethyl 8-oxo-5-prop-2-ynyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08666 167.1
[M+Na]+ 322.06860 179.7
[M+NH4]+ 317.11320 170.1
[M+K]+ 338.04254 173.0
[M-H]- 298.07210 161.8
[M+Na-2H]- 320.05405 166.0
[M]+ 299.07883 166.5
[M]- 299.07993 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.