CID 58924680

Phenylcapsaicin

Structural Information

Molecular Formula

C₂₁H₂₃NO₃

SMILES

COC1=C(C=CC(=C1)CNC(=O)CCCCC#CC2=CC=CC=C2)O

InChI

InChI=1S/C21H23NO3/c1-25-20-15-18(13-14-19(20)23)16-22-21(24)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-15,23H,2-3,8,12,16H2,1H3,(H,22,24)

InChIKey

GSIBPCYHSFDLTC-UHFFFAOYSA-N

Compound name

N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-phenylhept-6-ynamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 30
Patents: 337.1678 Da
Monoisotopic Mass: 3.8
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]+	338.175076	186.1
[M+Na]+	360.157018	193.3
[M-H]-	336.160524	188.3
[M+NH4]+	355.201623	196.9
[M+K]+	376.130958	186.1
[M+H-H2O]+	320.165060	171.7
[M+HCOO]-	382.166001	201.6
[M+CH3COO]-	396.181651	215.3
[M+Na-2H]-	358.142466	186.3
[M]+	337.16725142	181.9
[M]-	337.16834858	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe