CID 87267

17718-19-3

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: 4
Patents: 265.1103 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.117576	160.5
[M+Na]+	288.099518	167.0
[M-H]-	264.103024	166.1
[M+NH4]+	283.144123	176.1
[M+K]+	304.073458	162.7
[M+H-H2O]+	248.107560	151.4
[M+HCOO]-	310.108501	180.4
[M+CH3COO]-	324.124151	171.8
[M+Na-2H]-	286.084966	167.2
[M]+	265.10975142	159.9
[M]-	265.11084858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe