CID 35780

1h-indole, 3-(2-aminoethyl)-5-phenoxy-

Structural Information

Molecular Formula

C₁₆H₁₆N₂O

SMILES

C1=CC=C(C=C1)OC2=CC3=C(C=C2)NC=C3CCN

InChI

InChI=1S/C16H16N2O/c17-9-8-12-11-18-16-7-6-14(10-15(12)16)19-13-4-2-1-3-5-13/h1-7,10-11,18H,8-9,17H2

InChIKey

ZURXROHPCVOMGH-UHFFFAOYSA-N

Compound name

2-(5-phenoxy-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 38
Patents: 252.12627 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.13355	157.6
[M+Na]+	275.11549	172.0
[M+NH4]+	270.16009	166.6
[M+K]+	291.08943	165.4
[M-H]-	251.11899	162.5
[M+Na-2H]-	273.10094	166.5
[M]+	252.12572	161.1
[M]-	252.12682	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe