CID 5280537

Feruloyl tyramine

Structural Information

Molecular Formula
C18H19NO4
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H19NO4/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/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+
InChIKey
NPNNKDMSXVRADT-WEVVVXLNSA-N
Compound name
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

86
References

409
Patents

313.1314 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 173.3
[M+Na]+ 336.12062 179.2
[M-H]- 312.12412 177.3
[M+NH4]+ 331.16522 186.1
[M+K]+ 352.09456 174.5
[M+H-H2O]+ 296.12866 165.3
[M+HCOO]- 358.12960 194.5
[M+CH3COO]- 372.14525 204.0
[M+Na-2H]- 334.10607 175.3
[M]+ 313.13085 174.0
[M]- 313.13195 174.0
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