CID 4119122

Ethyl 2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C18H15NO2
SMILES
CCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO2/c1-2-21-18(20)15-12-17(13-8-4-3-5-9-13)19-16-11-7-6-10-14(15)16/h3-12H,2H2,1H3
InChIKey
BUQNPWJQTNKRJA-UHFFFAOYSA-N
Compound name
ethyl 2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

277.1103 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 164.0
[M+Na]+ 300.09952 171.9
[M-H]- 276.10302 170.1
[M+NH4]+ 295.14412 179.3
[M+K]+ 316.07346 167.2
[M+H-H2O]+ 260.10756 154.8
[M+HCOO]- 322.10850 184.9
[M+CH3COO]- 336.12415 175.7
[M+Na-2H]- 298.08497 170.4
[M]+ 277.10975 165.7
[M]- 277.11085 165.7
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