CID 87267

Benzyl 1(2h)-quinolinecarboxylate

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1C=CC2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H15NO2/c19-17(20-13-14-7-2-1-3-8-14)18-12-6-10-15-9-4-5-11-16(15)18/h1-11H,12-13H2
InChIKey
NXWWSYGSSAHNRR-UHFFFAOYSA-N
Compound name
benzyl 2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

265.1103 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 161.0
[M+Na]+ 288.09952 176.4
[M+NH4]+ 283.14412 170.1
[M+K]+ 304.07346 167.7
[M-H]- 264.10302 165.9
[M+Na-2H]- 286.08497 170.5
[M]+ 265.10975 164.7
[M]- 265.11085 164.7
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

patents stripe