CID 9995324

N-cinnamoyl serotonin

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)O
InChI
InChI=1S/C19H18N2O2/c22-16-7-8-18-17(12-16)15(13-21-18)10-11-20-19(23)9-6-14-4-2-1-3-5-14/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b9-6+
InChIKey
FRAFXYQJEIADQB-RMKNXTFCSA-N
Compound name
(E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

10
Patents

306.13684 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 173.7
[M+Na]+ 329.12606 186.3
[M+NH4]+ 324.17066 180.6
[M+K]+ 345.10000 180.3
[M-H]- 305.12956 176.8
[M+Na-2H]- 327.11151 180.5
[M]+ 306.13629 176.1
[M]- 306.13739 176.1
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