CID 11964526

Schembl2044710

Structural Information

Molecular Formula

C₁₇H₂₈N₂O

SMILES

CCN(CCC1=CC(=CC=C1)OC)CCN2CCCC2

InChI

InChI=1S/C17H28N2O/c1-3-18(13-14-19-10-4-5-11-19)12-9-16-7-6-8-17(15-16)20-2/h6-8,15H,3-5,9-14H2,1-2H3

InChIKey

GLMFGAQLJRJHRJ-UHFFFAOYSA-N

Compound name

N-ethyl-2-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
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]+	277.22743	170.1
[M+Na]+	299.20937	180.1
[M+NH4]+	294.25397	178.1
[M+K]+	315.18331	174.2
[M-H]-	275.21287	173.9
[M+Na-2H]-	297.19482	176.0
[M]+	276.21960	172.4
[M]-	276.22070	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe