CID 466887

Ethyl 2-cyano-6-methoxy-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CCOC(=O)N1C(C=CC2=C1C=CC(=C2)OC)C#N
InChI
InChI=1S/C14H14N2O3/c1-3-19-14(17)16-11(9-15)5-4-10-8-12(18-2)6-7-13(10)16/h4-8,11H,3H2,1-2H3
InChIKey
QVVJUKVZDBCDST-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

258.10043 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 156.9
[M+Na]+ 281.08965 167.3
[M-H]- 257.09315 159.3
[M+NH4]+ 276.13425 172.0
[M+K]+ 297.06359 163.2
[M+H-H2O]+ 241.09769 143.2
[M+HCOO]- 303.09863 173.4
[M+CH3COO]- 317.11428 207.0
[M+Na-2H]- 279.07510 161.1
[M]+ 258.09988 154.8
[M]- 258.10098 154.8
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.