CID 208834

Dietifen

Structural Information

Molecular Formula

C₂₁H₂₇NO₂

SMILES

CCN(CC)CCOC1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-20-13-11-19(12-14-20)21(23)15-10-18-8-6-5-7-9-18/h5-9,11-14H,3-4,10,15-17H2,1-2H3

InChIKey

KMICWMXRUOETFR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 80
Patents: 325.2042 Da
Monoisotopic Mass: 4.2
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]+	326.211476	182.1
[M+Na]+	348.193418	185.6
[M-H]-	324.196924	188.8
[M+NH4]+	343.238023	195.9
[M+K]+	364.167358	182.4
[M+H-H2O]+	308.201460	172.6
[M+HCOO]-	370.202401	205.1
[M+CH3COO]-	384.218051	216.4
[M+Na-2H]-	346.178866	183.9
[M]+	325.20365142	185.9
[M]-	325.20474858	185.9

Literature stripe

literature stripe

Patent stripe

patents stripe