CID 28554

Clofexamide

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂O₂

SMILES

CCN(CC)CCNC(=O)COC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)

InChIKey

UORGKWWJEQDTGX-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 158
Patents: 284.12915 Da
Monoisotopic Mass: 2.6
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]+	285.13643	167.4
[M+Na]+	307.11837	172.8
[M-H]-	283.12187	171.6
[M+NH4]+	302.16297	184.1
[M+K]+	323.09231	169.8
[M+H-H2O]+	267.12641	160.6
[M+HCOO]-	329.12735	187.9
[M+CH3COO]-	343.14300	207.8
[M+Na-2H]-	305.10382	170.2
[M]+	284.12860	172.8
[M]-	284.12970	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe