CID 10978403

109249-04-9

Structural Information

Molecular Formula

C₁₇H₁₈N₂O

SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3)CCN

InChI

InChI=1S/C17H18N2O/c18-10-9-14-11-19-15-7-4-8-16(17(14)15)20-12-13-5-2-1-3-6-13/h1-8,11,19H,9-10,12,18H2

InChIKey

KSDRYRLZDHZMDM-UHFFFAOYSA-N

Compound name

2-(4-phenylmethoxy-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 266.1419 Da
Monoisotopic Mass: 2.8
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]+	267.149176	160.4
[M+Na]+	289.131118	168.7
[M-H]-	265.134624	165.3
[M+NH4]+	284.175723	177.3
[M+K]+	305.105058	162.4
[M+H-H2O]+	249.139160	152.4
[M+HCOO]-	311.140101	183.7
[M+CH3COO]-	325.155751	172.2
[M+Na-2H]-	287.116566	166.0
[M]+	266.14135142	160.8
[M]-	266.14244858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe