CID 466917

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

Structural Information

Molecular Formula
C18H14N2O3
SMILES
COC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)OC3=CC=CC=C3
InChI
InChI=1S/C18H14N2O3/c1-22-16-9-10-17-13(11-16)7-8-14(12-19)20(17)18(21)23-15-5-3-2-4-6-15/h2-11,14H,1H3
InChIKey
APRCFTCJVVIWQP-UHFFFAOYSA-N
Compound name
phenyl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.10043 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 173.2
[M+Na]+ 329.08965 183.4
[M-H]- 305.09315 177.5
[M+NH4]+ 324.13425 185.7
[M+K]+ 345.06359 176.7
[M+H-H2O]+ 289.09769 157.7
[M+HCOO]- 351.09863 189.3
[M+CH3COO]- 365.11428 214.0
[M+Na-2H]- 327.07510 177.0
[M]+ 306.09988 169.5
[M]- 306.10098 169.5
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.