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

29
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 186.1
[M+Na]+ 360.15702 193.3
[M-H]- 336.16052 188.3
[M+NH4]+ 355.20162 196.9
[M+K]+ 376.13096 186.1
[M+H-H2O]+ 320.16506 171.7
[M+HCOO]- 382.16600 201.6
[M+CH3COO]- 396.18165 215.3
[M+Na-2H]- 358.14247 186.3
[M]+ 337.16725 181.9
[M]- 337.16835 181.9
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