CID 139291822

Metazachlor bh479-12

Structural Information

Molecular Formula
C14H13N3O5
SMILES
CC1=C(C(=CC=C1)C(=O)O)N(CN2C=CC=N2)C(=O)C(=O)O
InChI
InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)
InChIKey
DFJUHFNLKWOTIZ-UHFFFAOYSA-N
Compound name
3-methyl-2-[oxalo(pyrazol-1-ylmethyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

303.0855 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09278 166.5
[M+Na]+ 326.07472 175.0
[M+NH4]+ 321.11932 170.0
[M+K]+ 342.04866 175.3
[M-H]- 302.07822 165.7
[M+Na-2H]- 324.06017 170.1
[M]+ 303.08495 166.8
[M]- 303.08605 166.8
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.