CID 5458879

N-coumaroyl serotonin

Structural Information

Molecular Formula
C19H18N2O3
SMILES
C1=CC(=CC=C1/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)O)O
InChI
InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3+
InChIKey
WLZPAFGVOWCVMG-FPYGCLRLSA-N
Compound name
(E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

177
Patents

322.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 174.8
[M+Na]+ 345.120958 182.1
[M-H]- 321.124464 177.8
[M+NH4]+ 340.165563 188.2
[M+K]+ 361.094898 174.9
[M+H-H2O]+ 305.129000 167.1
[M+HCOO]- 367.129941 194.7
[M+CH3COO]- 381.145591 202.5
[M+Na-2H]- 343.106406 177.8
[M]+ 322.13119142 174.3
[M]- 322.13228858 174.3
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