CID 135899517

1,2-dihydroxymetamitron

Structural Information

Molecular Formula
C10H10N4O3
SMILES
CC1=NN=C(C(=O)N1N)C2=C(C(=CC=C2)O)O
InChI
InChI=1S/C10H10N4O3/c1-5-12-13-8(10(17)14(5)11)6-3-2-4-7(15)9(6)16/h2-4,15-16H,11H2,1H3
InChIKey
ZTRQWTHPVZWMJV-UHFFFAOYSA-N
Compound name
4-amino-6-(2,3-dihydroxyphenyl)-3-methyl-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.07529 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.082566 151.8
[M+Na]+ 257.064508 163.2
[M-H]- 233.068014 153.2
[M+NH4]+ 252.109113 164.4
[M+K]+ 273.038448 158.4
[M+H-H2O]+ 217.072550 143.4
[M+HCOO]- 279.073491 171.6
[M+CH3COO]- 293.089141 189.5
[M+Na-2H]- 255.049956 156.7
[M]+ 234.07474142 151.2
[M]- 234.07583858 151.2
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.