CID 53434808

Metazachlor-2-hydroxy

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CO

InChI

InChI=1S/C14H17N3O2/c1-11-5-3-6-12(2)14(11)17(13(19)9-18)10-16-8-4-7-15-16/h3-8,18H,9-10H2,1-2H3

InChIKey

IQUFNHHHOOCCDU-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 259.13208 Da
Monoisotopic Mass: 1.4
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]+	260.139356	159.7
[M+Na]+	282.121298	166.8
[M-H]-	258.124804	164.3
[M+NH4]+	277.165903	175.3
[M+K]+	298.095238	164.3
[M+H-H2O]+	242.129340	151.0
[M+HCOO]-	304.130281	182.0
[M+CH3COO]-	318.145931	198.7
[M+Na-2H]-	280.106746	162.0
[M]+	259.13153142	161.5
[M]-	259.13262858	161.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.