CID 51071993

Metazachlor bh 479-11

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂S

SMILES

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

InChI

InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3

InChIKey

GFGYMDAFJMPNCC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 305.1198 Da
Monoisotopic Mass: 1.3
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]+	306.127076	170.9
[M+Na]+	328.109018	178.4
[M-H]-	304.112524	177.0
[M+NH4]+	323.153623	186.0
[M+K]+	344.082958	175.6
[M+H-H2O]+	288.117060	162.4
[M+HCOO]-	350.118001	188.4
[M+CH3COO]-	364.133651	207.9
[M+Na-2H]-	326.094466	169.3
[M]+	305.11925142	176.1
[M]-	305.12034858	176.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.