CID 466893

Ethyl 6-cyano-6h-[1,3]dioxolo[4,5-g]quinoline-5-carboxylate

Structural Information

Molecular Formula
C14H12N2O4
SMILES
CCOC(=O)N1C(C=CC2=CC3=C(C=C21)OCO3)C#N
InChI
InChI=1S/C14H12N2O4/c1-2-18-14(17)16-10(7-15)4-3-9-5-12-13(6-11(9)16)20-8-19-12/h3-6,10H,2,8H2,1H3
InChIKey
IFUGNBYMUADHEJ-UHFFFAOYSA-N
Compound name
ethyl 6-cyano-6H-[1,3]dioxolo[4,5-g]quinoline-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.0797 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 156.9
[M+Na]+ 295.06892 168.2
[M-H]- 271.07242 160.7
[M+NH4]+ 290.11352 171.4
[M+K]+ 311.04286 164.6
[M+H-H2O]+ 255.07696 143.5
[M+HCOO]- 317.07790 171.0
[M+CH3COO]- 331.09355 167.8
[M+Na-2H]- 293.05437 161.8
[M]+ 272.07915 155.4
[M]- 272.08025 155.4
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

No patent data available for this compound.