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
4
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 165.7
[M+Na]+ 326.07472 171.7
[M-H]- 302.07822 169.2
[M+NH4]+ 321.11932 178.1
[M+K]+ 342.04866 170.4
[M+H-H2O]+ 286.08276 157.2
[M+HCOO]- 348.08370 185.4
[M+CH3COO]- 362.09935 202.6
[M+Na-2H]- 324.06017 165.6
[M]+ 303.08495 167.1
[M]- 303.08605 167.1
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.