CID 39890

Indole-3-acetic acid, alpha-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₂

SMILES

CN(C)CCOC(=O)C(C1=CC=CC=C1)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H22N2O2/c1-22(2)12-13-24-20(23)19(15-8-4-3-5-9-15)17-14-21-18-11-7-6-10-16(17)18/h3-11,14,19,21H,12-13H2,1-2H3

InChIKey

GOAVXRDZKWCSSW-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-(1H-indol-3-yl)-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.16812 Da
Monoisotopic Mass: 3.6
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]+	323.175396	178.0
[M+Na]+	345.157338	183.4
[M-H]-	321.160844	184.1
[M+NH4]+	340.201943	192.7
[M+K]+	361.131278	179.4
[M+H-H2O]+	305.165380	169.0
[M+HCOO]-	367.166321	199.6
[M+CH3COO]-	381.181971	211.0
[M+Na-2H]-	343.142786	180.5
[M]+	322.16757142	180.4
[M]-	322.16866858	180.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.