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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 170.9
[M+Na]+ 328.10902 178.4
[M-H]- 304.11252 177.0
[M+NH4]+ 323.15362 186.0
[M+K]+ 344.08296 175.6
[M+H-H2O]+ 288.11706 162.4
[M+HCOO]- 350.11800 188.4
[M+CH3COO]- 364.13365 207.9
[M+Na-2H]- 326.09447 169.3
[M]+ 305.11925 176.1
[M]- 305.12035 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.