CID 49384

Metazachlor

Structural Information

Molecular Formula

C₁₄H₁₆ClN₃O

SMILES

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

InChI

InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3

InChIKey

STEPQTYSZVCJPV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 49
References: 28398
Patents: 277.09818 Da
Monoisotopic Mass: 2.7
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]+	278.10546	163.5
[M+Na]+	300.08740	171.9
[M-H]-	276.09090	169.0
[M+NH4]+	295.13200	179.9
[M+K]+	316.06134	167.8
[M+H-H2O]+	260.09544	154.8
[M+HCOO]-	322.09638	182.3
[M+CH3COO]-	336.11203	202.8
[M+Na-2H]-	298.07285	165.5
[M]+	277.09763	167.7
[M]-	277.09873	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe