CID 3795475

735322-70-0

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂

SMILES

C1=CC=C2C(=C1)C(=CN2)C(CN)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H15ClN2/c17-15-7-3-1-5-11(15)13(9-18)14-10-19-16-8-4-2-6-12(14)16/h1-8,10,13,19H,9,18H2

InChIKey

DWOFRWCQQMUIRA-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 270.09238 Da
Monoisotopic Mass: 3.4
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]+	271.099656	161.1
[M+Na]+	293.081598	170.3
[M-H]-	269.085104	165.8
[M+NH4]+	288.126203	178.6
[M+K]+	309.055538	162.4
[M+H-H2O]+	253.089640	154.0
[M+HCOO]-	315.090581	178.8
[M+CH3COO]-	329.106231	172.8
[M+Na-2H]-	291.067046	165.3
[M]+	270.09183142	161.3
[M]-	270.09292858	161.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.