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]+ 274.118606 161.7
[M+Na]+ 296.100548 168.7
[M-H]- 272.104054 166.4
[M+NH4]+ 291.145153 176.5
[M+K]+ 312.074488 166.8
[M+H-H2O]+ 256.108590 153.0
[M+HCOO]- 318.109531 183.3
[M+CH3COO]- 332.125181 200.3
[M+Na-2H]- 294.085996 162.9
[M]+ 273.11078142 163.5
[M]- 273.11187858 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

literature stripe

Patent stripe

patents stripe