CID 16119667

N-dihydroferuloyltyramine

Structural Information

Molecular Formula
C18H21NO4
SMILES
COC1=C(C=CC(=C1)CCC(=O)NCCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H21NO4/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/h2-4,6-8,12,20-21H,5,9-11H2,1H3,(H,19,22)
InChIKey
XLIPDHTUSRZSKE-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

315.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 175.7
[M+Na]+ 338.13628 187.3
[M+NH4]+ 333.18088 181.7
[M+K]+ 354.11022 181.0
[M-H]- 314.13978 178.5
[M+Na-2H]- 336.12173 181.7
[M]+ 315.14651 177.9
[M]- 315.14761 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe