CID 563605

N-acetyl-5-benzyloxytryptamine

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c1-14(22)20-10-9-16-12-21-19-8-7-17(11-18(16)19)23-13-15-5-3-2-4-6-15/h2-8,11-12,21H,9-10,13H2,1H3,(H,20,22)
InChIKey
NYFDZJCKTLWFCP-UHFFFAOYSA-N
Compound name
N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

4
Patents

308.15247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 172.5
[M+Na]+ 331.141688 179.5
[M-H]- 307.145194 177.6
[M+NH4]+ 326.186293 187.6
[M+K]+ 347.115628 173.8
[M+H-H2O]+ 291.149730 163.9
[M+HCOO]- 353.150671 195.0
[M+CH3COO]- 367.166321 205.0
[M+Na-2H]- 329.127136 176.8
[M]+ 308.15192142 174.4
[M]- 308.15301858 174.4
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