CID 201083

4-(2-(3-(1-naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)morpholine oxalate (1:1)

Structural Information

Molecular Formula

C₂₄H₃₃NO₃

SMILES

C1CC(OC1)CC(CC2=CC=CC3=CC=CC=C32)COCCN4CCOCC4

InChI

InChI=1S/C24H33NO3/c1-2-9-24-21(5-1)6-3-7-22(24)17-20(18-23-8-4-13-28-23)19-27-16-12-25-10-14-26-15-11-25/h1-3,5-7,9,20,23H,4,8,10-19H2

InChIKey

CXRMJOJDXWUHDH-UHFFFAOYSA-N

Compound name

4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 383.24603 Da
Monoisotopic Mass: 4.0
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]+	384.253306	195.3
[M+Na]+	406.235248	195.4
[M-H]-	382.238754	202.7
[M+NH4]+	401.279853	204.1
[M+K]+	422.209188	193.1
[M+H-H2O]+	366.243290	184.9
[M+HCOO]-	428.244231	207.1
[M+CH3COO]-	442.259881	202.2
[M+Na-2H]-	404.220696	194.4
[M]+	383.24548142	192.8
[M]-	383.24657858	192.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.