CID 9861546

1-(4-(2-dimethylamino)-2-ethoxyphenyl butanone

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

CCC(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OCCN(C)C

InChI

InChI=1S/C20H25NO2/c1-4-19(16-8-6-5-7-9-16)20(22)17-10-12-18(13-11-17)23-15-14-21(2)3/h5-13,19H,4,14-15H2,1-3H3

InChIKey

OBBFYFBJWYPOQQ-UHFFFAOYSA-N

Compound name

1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 84
Patents: 311.18854 Da
Monoisotopic Mass: 4.1
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	181.2
[M-H]-	310.181264	184.6
[M+NH4]+	329.222363	191.9
[M+K]+	350.151698	178.8
[M+H-H2O]+	294.185800	168.5
[M+HCOO]-	356.186741	199.9
[M+CH3COO]-	370.202391	214.3
[M+Na-2H]-	332.163206	178.7
[M]+	311.18799142	180.4
[M]-	311.18908858	180.4

Literature stripe

literature stripe

Patent stripe

patents stripe