CID 5857558

4-(2-diethylaminoethoxy)chalcone

Structural Information

Molecular Formula

C₂₁H₂₅NO₂

SMILES

CCN(CC)CCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO2/c1-3-22(4-2)16-17-24-20-13-10-18(11-14-20)12-15-21(23)19-8-6-5-7-9-19/h5-15H,3-4,16-17H2,1-2H3/b15-12+

InChIKey

ZILFLOGKIQQYSS-NTCAYCPXSA-N

Compound name

(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]-1-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 323.18854 Da
Monoisotopic Mass: 3.8
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]+	324.195816	181.0
[M+Na]+	346.177758	184.9
[M-H]-	322.181264	187.8
[M+NH4]+	341.222363	194.9
[M+K]+	362.151698	181.1
[M+H-H2O]+	306.185800	171.7
[M+HCOO]-	368.186741	204.3
[M+CH3COO]-	382.202391	215.0
[M+Na-2H]-	344.163206	182.8
[M]+	323.18799142	184.1
[M]-	323.18908858	184.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe