CID 52556

3-(2-(4-methoxybenzylamino)ethyl)indole monohydrochloride

Structural Information

Molecular Formula

C₁₈H₂₀N₂O

SMILES

COC1=CC=C(C=C1)CNCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H20N2O/c1-21-16-8-6-14(7-9-16)12-19-11-10-15-13-20-18-5-3-2-4-17(15)18/h2-9,13,19-20H,10-12H2,1H3

InChIKey

MBINHSDRJFYMHA-UHFFFAOYSA-N

Compound name

2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.15756 Da
Monoisotopic Mass: 3.5
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]+	281.164836	164.6
[M+Na]+	303.146778	172.3
[M-H]-	279.150284	169.7
[M+NH4]+	298.191383	181.1
[M+K]+	319.120718	166.1
[M+H-H2O]+	263.154820	156.2
[M+HCOO]-	325.155761	188.1
[M+CH3COO]-	339.171411	176.2
[M+Na-2H]-	301.132226	170.6
[M]+	280.15701142	166.2
[M]-	280.15810858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe