CID 204355

16200-02-5

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₃

SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN(C)C)C)C

InChI

InChI=1S/C16H22N2O3/c1-6-21-16(20)14-10(2)18(5)12-7-8-13(19)11(15(12)14)9-17(3)4/h7-8,19H,6,9H2,1-5H3

InChIKey

CXCWEVZTMHDHDI-UHFFFAOYSA-N

Compound name

ethyl 4-[(dimethylamino)methyl]-5-hydroxy-1,2-dimethylindole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.16306 Da
Monoisotopic Mass: 2.1
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]+	291.170336	167.9
[M+Na]+	313.152278	177.8
[M-H]-	289.155784	172.5
[M+NH4]+	308.196883	185.9
[M+K]+	329.126218	175.5
[M+H-H2O]+	273.160320	161.3
[M+HCOO]-	335.161261	190.7
[M+CH3COO]-	349.176911	209.4
[M+Na-2H]-	311.137726	168.7
[M]+	290.16251142	175.3
[M]-	290.16360858	175.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.