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

30813
Patents

277.09818 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.