CID 3483208

175783-75-2

Structural Information

Molecular Formula

C₁₇H₁₈ClNO₂

SMILES

CCOC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClNO2/c1-2-21-16-9-7-15(8-10-16)19-12-11-17(20)13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3

InChIKey

VFDWVKOTFLFOIO-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(4-ethoxyanilino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.1026 Da
Monoisotopic Mass: 4.7
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]+	304.109876	169.7
[M+Na]+	326.091818	176.7
[M-H]-	302.095324	176.0
[M+NH4]+	321.136423	185.2
[M+K]+	342.065758	171.3
[M+H-H2O]+	286.099860	162.3
[M+HCOO]-	348.100801	189.2
[M+CH3COO]-	362.116451	205.9
[M+Na-2H]-	324.077266	173.4
[M]+	303.10205142	173.7
[M]-	303.10314858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.