CID 24801867

1135424-15-5

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₂

SMILES

CCN(CC)CCC1=CNC2=C1C(=CC=C2)OC(=O)C

InChI

InChI=1S/C16H22N2O2/c1-4-18(5-2)10-9-13-11-17-14-7-6-8-15(16(13)14)20-12(3)19/h6-8,11,17H,4-5,9-10H2,1-3H3

InChIKey

WYEVVQJLTXBMPM-UHFFFAOYSA-N

Compound name

[3-[2-(diethylamino)ethyl]-1H-indol-4-yl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 163
Patents: 274.16812 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]+	275.17540	165.3
[M+Na]+	297.15734	176.3
[M+NH4]+	292.20194	172.4
[M+K]+	313.13128	171.8
[M-H]-	273.16084	166.7
[M+Na-2H]-	295.14279	169.7
[M]+	274.16757	167.0
[M]-	274.16867	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe