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
3
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 170.3
[M+Na]+ 328.10902 181.0
[M+NH4]+ 323.15362 176.8
[M+K]+ 344.08296 175.7
[M-H]- 304.11252 172.7
[M+Na-2H]- 326.09447 175.9
[M]+ 305.11925 172.7
[M]- 305.12035 172.7
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.