CID 86290103

Metazachlor oxa

Structural Information

Molecular Formula
C14H15N3O3
SMILES
CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)C(=O)O
InChI
InChI=1S/C14H15N3O3/c1-10-5-3-6-11(2)12(10)17(13(18)14(19)20)9-16-8-4-7-15-16/h3-8H,9H2,1-2H3,(H,19,20)
InChIKey
PHMHHVKFXZNTKU-UHFFFAOYSA-N
Compound name
2-[2,6-dimethyl-N-(pyrazol-1-ylmethyl)anilino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

273.11133 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11861 161.7
[M+Na]+ 296.10055 168.7
[M-H]- 272.10405 166.4
[M+NH4]+ 291.14515 176.5
[M+K]+ 312.07449 166.8
[M+H-H2O]+ 256.10859 153.0
[M+HCOO]- 318.10953 183.3
[M+CH3COO]- 332.12518 200.3
[M+Na-2H]- 294.08600 162.9
[M]+ 273.11078 163.5
[M]- 273.11188 163.5
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.