CID 641764

Nb-feruloyltryptamine

Structural Information

Molecular Formula
C20H20N2O3
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32)O
InChI
InChI=1S/C20H20N2O3/c1-25-19-12-14(6-8-18(19)23)7-9-20(24)21-11-10-15-13-22-17-5-3-2-4-16(15)17/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-7+
InChIKey
LWRQDNUXWLIWDB-VQHVLOKHSA-N
Compound name
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

16
Patents

336.1474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 179.5
[M+Na]+ 359.13662 186.7
[M-H]- 335.14012 183.6
[M+NH4]+ 354.18122 193.0
[M+K]+ 375.11056 180.1
[M+H-H2O]+ 319.14466 171.2
[M+HCOO]- 381.14560 200.5
[M+CH3COO]- 395.16125 207.7
[M+Na-2H]- 357.12207 182.3
[M]+ 336.14685 181.0
[M]- 336.14795 181.0
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

No patent data available for this compound.