CID 3854989

868255-83-8

Structural Information

Molecular Formula

C₁₇H₁₇Cl₂NO₃

SMILES

COC1=CC(=C(C=C1NCCC(=O)C2=CC=C(C=C2)Cl)OC)Cl

InChI

InChI=1S/C17H17Cl2NO3/c1-22-16-10-14(17(23-2)9-13(16)19)20-8-7-15(21)11-3-5-12(18)6-4-11/h3-6,9-10,20H,7-8H2,1-2H3

InChIKey

FVPIAQQZLWIVNH-UHFFFAOYSA-N

Compound name

3-(4-chloro-2,5-dimethoxyanilino)-1-(4-chlorophenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 353.05856 Da
Monoisotopic Mass: 5.0
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]+	354.065836	177.6
[M+Na]+	376.047778	186.7
[M-H]-	352.051284	184.0
[M+NH4]+	371.092383	192.1
[M+K]+	392.021718	180.8
[M+H-H2O]+	336.055820	171.2
[M+HCOO]-	398.056761	192.2
[M+CH3COO]-	412.072411	214.5
[M+Na-2H]-	374.033226	179.2
[M]+	353.05801142	185.2
[M]-	353.05910858	185.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.