CID 11087961

Schembl7022082

Structural Information

Molecular Formula

C₁₄H₁₇Cl₂NO₂

SMILES

CCC(C)(C(=O)C)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl

InChI

InChI=1S/C14H17Cl2NO2/c1-5-14(4,9(3)18)17-13(19)10-6-11(15)8(2)12(16)7-10/h6-7H,5H2,1-4H3,(H,17,19)

InChIKey

UKKKGCZFKPKTPL-UHFFFAOYSA-N

Compound name

3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 19
Patents: 301.06363 Da
Monoisotopic Mass: 3.7
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]+	302.07091	165.3
[M+Na]+	324.05285	174.1
[M-H]-	300.05635	168.8
[M+NH4]+	319.09745	182.2
[M+K]+	340.02679	168.9
[M+H-H2O]+	284.06089	161.5
[M+HCOO]-	346.06183	177.0
[M+CH3COO]-	360.07748	206.6
[M+Na-2H]-	322.03830	166.4
[M]+	301.06308	170.4
[M]-	301.06418	170.4

Literature stripe

literature stripe

Patent stripe

patents stripe