CID 211334

22908-73-2

Structural Information

Molecular Formula

C₂₃H₃₁NO₂

SMILES

CCC1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCCN(CC)CC

InChI

InChI=1S/C23H31NO2/c1-4-19-11-13-20(14-12-19)15-16-22(25)21-9-7-8-10-23(21)26-18-17-24(5-2)6-3/h7-14H,4-6,15-18H2,1-3H3

InChIKey

JXJQNGBXLWWQSM-UHFFFAOYSA-N

Compound name

1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(4-ethylphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 353.23547 Da
Monoisotopic Mass: 5.0
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]+	354.242746	190.9
[M+Na]+	376.224688	194.5
[M-H]-	352.228194	197.7
[M+NH4]+	371.269293	203.9
[M+K]+	392.198628	190.9
[M+H-H2O]+	336.232730	181.3
[M+HCOO]-	398.233671	213.3
[M+CH3COO]-	412.249321	223.5
[M+Na-2H]-	374.210136	190.9
[M]+	353.23492142	195.9
[M]-	353.23601858	195.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.