CID 2807080

Ns00098051

Structural Information

Molecular Formula

C₁₇H₁₇Cl₂NO

SMILES

CC1=CC(=C(C=C1)C(C)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C

InChI

InChI=1S/C17H17Cl2NO/c1-10-4-6-14(11(2)8-10)12(3)20-17(21)13-5-7-15(18)16(19)9-13/h4-9,12H,1-3H3,(H,20,21)

InChIKey

ZWPIGVNTTYJSKX-UHFFFAOYSA-N

Compound name

3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 321.06873 Da
Monoisotopic Mass: 5.1
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	171.8
[M+Na]+	344.057948	181.0
[M-H]-	320.061454	178.2
[M+NH4]+	339.102553	187.8
[M+K]+	360.031888	174.3
[M+H-H2O]+	304.065990	166.1
[M+HCOO]-	366.066931	185.0
[M+CH3COO]-	380.082581	210.7
[M+Na-2H]-	342.043396	172.1
[M]+	321.06818142	176.0
[M]-	321.06927858	176.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.