CID 701842

8-(cinnamoyloxy)quinoline

Structural Information

Molecular Formula

C₁₈H₁₃NO₂

SMILES

C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C18H13NO2/c20-17(12-11-14-6-2-1-3-7-14)21-16-10-4-8-15-9-5-13-19-18(15)16/h1-13H/b12-11+

InChIKey

MGYIGSPQIHQSAA-VAWYXSNFSA-N

Compound name

quinolin-8-yl (E)-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 275.09464 Da
Monoisotopic Mass: 4.1
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]+	276.101916	163.0
[M+Na]+	298.083858	170.5
[M-H]-	274.087364	168.9
[M+NH4]+	293.128463	178.1
[M+K]+	314.057798	165.1
[M+H-H2O]+	258.091900	153.8
[M+HCOO]-	320.092841	184.2
[M+CH3COO]-	334.108491	174.5
[M+Na-2H]-	296.069306	170.2
[M]+	275.09409142	163.5
[M]-	275.09518858	163.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.