CID 24848922

Umb117

Structural Information

Molecular Formula

C₁₇H₂₈N₂O

SMILES

CCN(CCC1=CC=CC=C1OC)CCN2CCCC2

InChI

InChI=1S/C17H28N2O/c1-3-18(14-15-19-11-6-7-12-19)13-10-16-8-4-5-9-17(16)20-2/h4-5,8-9H,3,6-7,10-15H2,1-2H3

InChIKey

YBXGOVLZYQUJMI-UHFFFAOYSA-N

Compound name

N-ethyl-2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 276.22015 Da
Monoisotopic Mass: 3.1
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]+	277.227426	169.7
[M+Na]+	299.209368	172.9
[M-H]-	275.212874	174.9
[M+NH4]+	294.253973	186.2
[M+K]+	315.183308	170.6
[M+H-H2O]+	259.217410	160.5
[M+HCOO]-	321.218351	191.3
[M+CH3COO]-	335.234001	205.7
[M+Na-2H]-	297.194816	170.5
[M]+	276.21960142	170.5
[M]-	276.22069858	170.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.