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]+ 323.13902 174.8
[M+Na]+ 345.12096 182.1
[M-H]- 321.12446 177.8
[M+NH4]+ 340.16556 188.2
[M+K]+ 361.09490 174.9
[M+H-H2O]+ 305.12900 167.1
[M+HCOO]- 367.12994 194.7
[M+CH3COO]- 381.14559 202.5
[M+Na-2H]- 343.10641 177.8
[M]+ 322.13119 174.3
[M]- 322.13229 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.