CID 609693

Methyl 2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C17H13NO2
SMILES
COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO2/c1-20-17(19)14-11-16(12-7-3-2-4-8-12)18-15-10-6-5-9-13(14)15/h2-11H,1H3
InChIKey
FDNMMBMNYRTPLC-UHFFFAOYSA-N
Compound name
methyl 2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

102
Patents

263.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.101916 159.3
[M+Na]+ 286.083858 167.7
[M-H]- 262.087364 165.6
[M+NH4]+ 281.128463 175.2
[M+K]+ 302.057798 163.2
[M+H-H2O]+ 246.091900 150.4
[M+HCOO]- 308.092841 180.6
[M+CH3COO]- 322.108491 171.4
[M+Na-2H]- 284.069306 166.3
[M]+ 263.09409142 160.6
[M]- 263.09518858 160.6
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