CID 3015688

34535-82-5

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

CCC(=O)C1=CC=C(C=C1)OCCNC(C)CC2=CC=CC=C2

InChI

InChI=1S/C20H25NO2/c1-3-20(22)18-9-11-19(12-10-18)23-14-13-21-16(2)15-17-7-5-4-6-8-17/h4-12,16,21H,3,13-15H2,1-2H3

InChIKey

FGJHEOOYCPIULG-UHFFFAOYSA-N

Compound name

1-[4-[2-(1-phenylpropan-2-ylamino)ethoxy]phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 311.18854 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]+	312.195816	177.5
[M+Na]+	334.177758	181.0
[M-H]-	310.181264	183.0
[M+NH4]+	329.222363	191.2
[M+K]+	350.151698	177.2
[M+H-H2O]+	294.185800	168.6
[M+HCOO]-	356.186741	199.4
[M+CH3COO]-	370.202391	210.9
[M+Na-2H]-	332.163206	179.4
[M]+	311.18799142	179.1
[M]-	311.18908858	179.1

Literature stripe

literature stripe

Patent stripe

patents stripe