CID 9841596

Ne-100

Structural Information

Molecular Formula

C₂₃H₃₃NO₂

SMILES

CCCN(CCC)CCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3

InChIKey

YBLIQJGXRLZBCZ-UHFFFAOYSA-N

Compound name

N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 118
References: 268
Patents: 355.25113 Da
Monoisotopic Mass: 5.9
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]+	356.258406	192.0
[M+Na]+	378.240348	195.5
[M-H]-	354.243854	198.6
[M+NH4]+	373.284953	205.0
[M+K]+	394.214288	192.0
[M+H-H2O]+	338.248390	182.1
[M+HCOO]-	400.249331	215.1
[M+CH3COO]-	414.264981	223.4
[M+Na-2H]-	376.225796	193.1
[M]+	355.25058142	198.2
[M]-	355.25167858	198.2

Literature stripe

literature stripe

Patent stripe

patents stripe