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 160.5
[M+Na]+ 288.09952 167.0
[M-H]- 264.10302 166.1
[M+NH4]+ 283.14412 176.1
[M+K]+ 304.07346 162.7
[M+H-H2O]+ 248.10756 151.4
[M+HCOO]- 310.10850 180.4
[M+CH3COO]- 324.12415 171.8
[M+Na-2H]- 286.08497 167.2
[M]+ 265.10975 159.9
[M]- 265.11085 159.9
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