CID 3055349

72284-48-1

Structural Information

Molecular Formula

C₁₉H₂₃Cl₂NO

SMILES

CN(C)CCCOC1=CC=CC=C1CCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H23Cl2NO/c1-22(2)12-5-13-23-19-7-4-3-6-16(19)10-8-15-9-11-17(20)18(21)14-15/h3-4,6-7,9,11,14H,5,8,10,12-13H2,1-2H3

InChIKey

IIJCEENLCOGTPW-UHFFFAOYSA-N

Compound name

3-[2-[2-(3,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 351.11566 Da
Monoisotopic Mass: 5.8
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]+	352.12294	183.0
[M+Na]+	374.10488	190.7
[M-H]-	350.10838	189.7
[M+NH4]+	369.14948	198.1
[M+K]+	390.07882	184.3
[M+H-H2O]+	334.11292	175.7
[M+HCOO]-	396.11386	197.7
[M+CH3COO]-	410.12951	218.3
[M+Na-2H]-	372.09033	184.4
[M]+	351.11511	190.5
[M]-	351.11621	190.5

Literature stripe

literature stripe

Patent stripe

patents stripe