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
1
Annotation Hits

0
References

28
Patents

337.1678 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 183.7
[M+Na]+ 360.15702 195.2
[M+NH4]+ 355.20162 186.6
[M+K]+ 376.13096 184.3
[M-H]- 336.16052 178.8
[M+Na-2H]- 358.14247 186.8
[M]+ 337.16725 183.0
[M]- 337.16835 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe