CID 3024462

Brn 1081870

Structural Information

Molecular Formula

C₁₈H₂₆N₂O₂

SMILES

CCC1=C(C2=CC=CC=C2O1)CNCCCN3CCOCC3

InChI

InChI=1S/C18H26N2O2/c1-2-17-16(15-6-3-4-7-18(15)22-17)14-19-8-5-9-20-10-12-21-13-11-20/h3-4,6-7,19H,2,5,8-14H2,1H3

InChIKey

FOXIIZUECLRHDY-UHFFFAOYSA-N

Compound name

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 302.19943 Da
Monoisotopic Mass: 2.5
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]+	303.206706	173.2
[M+Na]+	325.188648	178.4
[M-H]-	301.192154	179.6
[M+NH4]+	320.233253	186.6
[M+K]+	341.162588	176.1
[M+H-H2O]+	285.196690	164.6
[M+HCOO]-	347.197631	192.1
[M+CH3COO]-	361.213281	183.7
[M+Na-2H]-	323.174096	177.6
[M]+	302.19888142	174.9
[M]-	302.19997858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe