CID 71587643

Pyroglutamylamidoethyl indole

Structural Information

Molecular Formula

C₁₅H₁₇N₃O₂

SMILES

C1CC(=O)N[C@@H]1C(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C15H17N3O2/c19-14-6-5-13(18-14)15(20)16-8-7-10-9-17-12-4-2-1-3-11(10)12/h1-4,9,13,17H,5-8H2,(H,16,20)(H,18,19)/t13-/m0/s1

InChIKey

LFXLWPKXAQBEEB-ZDUSSCGKSA-N

Compound name

(2S)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 62
Patents: 271.13208 Da
Monoisotopic Mass: 1.3
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]+	272.139356	161.5
[M+Na]+	294.121298	167.9
[M-H]-	270.124804	164.1
[M+NH4]+	289.165903	177.8
[M+K]+	310.095238	162.4
[M+H-H2O]+	254.129340	153.7
[M+HCOO]-	316.130281	180.7
[M+CH3COO]-	330.145931	171.9
[M+Na-2H]-	292.106746	162.9
[M]+	271.13153142	158.2
[M]-	271.13262858	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe