CID 5351198

2878-62-8

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

COC1=CC(=C(C=C1/C=C/C2=CC=NC3=CC=CC=C23)OC)OC

InChI

InChI=1S/C20H19NO3/c1-22-18-13-20(24-3)19(23-2)12-15(18)9-8-14-10-11-21-17-7-5-4-6-16(14)17/h4-13H,1-3H3/b9-8+

InChIKey

XPYLMRIXEKTASO-CMDGGOBGSA-N

Compound name

4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 321.1365 Da
Monoisotopic Mass: 4.4
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]+	322.143776	176.7
[M+Na]+	344.125718	185.7
[M-H]-	320.129224	183.1
[M+NH4]+	339.170323	190.8
[M+K]+	360.099658	180.8
[M+H-H2O]+	304.133760	167.0
[M+HCOO]-	366.134701	198.0
[M+CH3COO]-	380.150351	209.6
[M+Na-2H]-	342.111166	181.6
[M]+	321.13595142	181.8
[M]-	321.13704858	181.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.