CID 3023238

Brn 1083159

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₂

SMILES

CCC1C(C2=CC=CC=C2O1)CNCCCN3CCOCC3

InChI

InChI=1S/C18H28N2O2/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/h3-4,6-7,16-17,19H,2,5,8-14H2,1H3

InChIKey

WIKYYQQXCBSCRU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 304.2151 Da
Monoisotopic Mass: 2.3
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]+	305.222376	175.2
[M+Na]+	327.204318	178.4
[M-H]-	303.207824	180.8
[M+NH4]+	322.248923	188.3
[M+K]+	343.178258	176.4
[M+H-H2O]+	287.212360	166.6
[M+HCOO]-	349.213301	191.2
[M+CH3COO]-	363.228951	206.9
[M+Na-2H]-	325.189766	177.7
[M]+	304.21455142	174.0
[M]-	304.21564858	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe