CID 3060288

77941-18-5

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₃

SMILES

CN(C)CCN1C2=CC=CC=C2C(=C1C(=O)OC)OC

InChI

InChI=1S/C15H20N2O3/c1-16(2)9-10-17-12-8-6-5-7-11(12)14(19-3)13(17)15(18)20-4/h5-8H,9-10H2,1-4H3

InChIKey

GHOGTEYMOLOESX-UHFFFAOYSA-N

Compound name

methyl 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 276.1474 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]+	277.154676	163.6
[M+Na]+	299.136618	172.5
[M-H]-	275.140124	168.9
[M+NH4]+	294.181223	182.3
[M+K]+	315.110558	171.2
[M+H-H2O]+	259.144660	156.2
[M+HCOO]-	321.145601	188.3
[M+CH3COO]-	335.161251	206.3
[M+Na-2H]-	297.122066	166.7
[M]+	276.14685142	171.7
[M]-	276.14794858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe