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

31007
Patents

277.09818 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.105456 163.5
[M+Na]+ 300.087398 171.9
[M-H]- 276.090904 169.0
[M+NH4]+ 295.132003 179.9
[M+K]+ 316.061338 167.8
[M+H-H2O]+ 260.095440 154.8
[M+HCOO]- 322.096381 182.3
[M+CH3COO]- 336.112031 202.8
[M+Na-2H]- 298.072846 165.5
[M]+ 277.09763142 167.7
[M]- 277.09872858 167.7
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

patents stripe