CID 68889

Amipizone

Structural Information

Molecular Formula

C₁₄H₁₆ClN₃O₂

SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C(C)Cl

InChI

InChI=1S/C14H16ClN3O2/c1-8-7-12(19)17-18-13(8)10-3-5-11(6-4-10)16-14(20)9(2)15/h3-6,8-9H,7H2,1-2H3,(H,16,20)(H,17,19)

InChIKey

NQWQBGBWCJSARZ-UHFFFAOYSA-N

Compound name

2-chloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 152
Patents: 293.0931 Da
Monoisotopic Mass: 1.7
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]+	294.100376	166.1
[M+Na]+	316.082318	172.9
[M-H]-	292.085824	168.5
[M+NH4]+	311.126923	178.6
[M+K]+	332.056258	167.4
[M+H-H2O]+	276.090360	158.1
[M+HCOO]-	338.091301	178.7
[M+CH3COO]-	352.106951	201.4
[M+Na-2H]-	314.067766	167.4
[M]+	293.09255142	164.3
[M]-	293.09364858	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe