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]+ 273.086976 156.9
[M+Na]+ 295.068918 168.2
[M-H]- 271.072424 160.7
[M+NH4]+ 290.113523 171.4
[M+K]+ 311.042858 164.6
[M+H-H2O]+ 255.076960 143.5
[M+HCOO]- 317.077901 171.0
[M+CH3COO]- 331.093551 167.8
[M+Na-2H]- 293.054366 161.8
[M]+ 272.07915142 155.4
[M]- 272.08024858 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.