CID 831028

423731-06-0

Structural Information

Molecular Formula

C₁₇H₁₇Cl₂NO

SMILES

CCC1=CC=C(C=C1)NCCC(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H17Cl2NO/c1-2-12-3-6-14(7-4-12)20-10-9-17(21)13-5-8-15(18)16(19)11-13/h3-8,11,20H,2,9-10H2,1H3

InChIKey

DIFDSRVIPKELRA-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)-3-(4-ethylanilino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 321.06873 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]+	322.076006	172.7
[M+Na]+	344.057948	181.1
[M-H]-	320.061454	178.5
[M+NH4]+	339.102553	188.3
[M+K]+	360.031888	173.8
[M+H-H2O]+	304.065990	166.4
[M+HCOO]-	366.066931	186.8
[M+CH3COO]-	380.082581	209.3
[M+Na-2H]-	342.043396	174.8
[M]+	321.06818142	177.0
[M]-	321.06927858	177.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.