CID 51071992

Metazachlor metabolite m6

Structural Information

Molecular Formula

C₁₄H₁₇N₃O

SMILES

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

InChI

InChI=1S/C14H17N3O/c1-11-6-4-7-12(2)14(11)17(13(3)18)10-16-9-5-8-15-16/h4-9H,10H2,1-3H3

InChIKey

JXUANMZOSNWAMI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5
Patents: 243.13716 Da
Monoisotopic Mass: 2.0
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]+	244.14444	156.6
[M+Na]+	266.12638	168.9
[M+NH4]+	261.17098	164.0
[M+K]+	282.10032	164.6
[M-H]-	242.12988	159.7
[M+Na-2H]-	264.11183	164.1
[M]+	243.13661	159.1
[M]-	243.13771	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe