CID 5280537

N-feruloyltyramine

Structural Information

Molecular Formula

C₁₈H₁₉NO₄

SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O

InChI

InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+

InChIKey

NPNNKDMSXVRADT-WEVVVXLNSA-N

Compound name

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 86
References: 394
Patents: 313.1314 Da
Monoisotopic Mass: 2.1
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]+	314.138676	173.3
[M+Na]+	336.120618	179.2
[M-H]-	312.124124	177.3
[M+NH4]+	331.165223	186.1
[M+K]+	352.094558	174.5
[M+H-H2O]+	296.128660	165.3
[M+HCOO]-	358.129601	194.5
[M+CH3COO]-	372.145251	204.0
[M+Na-2H]-	334.106066	175.3
[M]+	313.13085142	174.0
[M]-	313.13194858	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe