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

19
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

literature stripe

Patent stripe

patents stripe