CID 7117292

N-(1h-indol-3-yloxoacetyl)glycine ethyl ester

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₄

SMILES

CCOC(=O)CNC(=O)C(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C14H14N2O4/c1-2-20-12(17)8-16-14(19)13(18)10-7-15-11-6-4-3-5-9(10)11/h3-7,15H,2,8H2,1H3,(H,16,19)

InChIKey

DFYSCFGRDTZECI-UHFFFAOYSA-N

Compound name

ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 274.09537 Da
Monoisotopic Mass: 2.3
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]+	275.102646	160.8
[M+Na]+	297.084588	167.6
[M-H]-	273.088094	162.9
[M+NH4]+	292.129193	177.1
[M+K]+	313.058528	164.8
[M+H-H2O]+	257.092630	153.7
[M+HCOO]-	319.093571	182.4
[M+CH3COO]-	333.109221	196.8
[M+Na-2H]-	295.070036	163.9
[M]+	274.09482142	163.3
[M]-	274.09591858	163.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.