CID 5315911

N-cinnamoyltyramine

Structural Information

Molecular Formula

C₁₇H₁₇NO₂

SMILES

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

InChI

InChI=1S/C17H17NO2/c19-16-9-6-15(7-10-16)12-13-18-17(20)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,18,20)/b11-8+

InChIKey

KGOYCHSKGXJDND-DHZHZOJOSA-N

Compound name

(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 87
Patents: 267.12592 Da
Monoisotopic Mass: 3.1
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]+	268.13320	162.7
[M+Na]+	290.11514	168.0
[M-H]-	266.11864	167.6
[M+NH4]+	285.15974	177.8
[M+K]+	306.08908	162.8
[M+H-H2O]+	250.12318	154.8
[M+HCOO]-	312.12412	185.5
[M+CH3COO]-	326.13977	196.5
[M+Na-2H]-	288.10059	167.1
[M]+	267.12537	161.3
[M]-	267.12647	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe