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

literature stripe

Patent stripe

patents stripe