CID 25141039

1,2-dihydrodihydroxymetamitron

Structural Information

Molecular Formula
C10H12N4O3
SMILES
CC1=NN=C(C(=O)N1N)C2=CC=CC(C2O)O
InChI
InChI=1S/C10H12N4O3/c1-5-12-13-8(10(17)14(5)11)6-3-2-4-7(15)9(6)16/h2-4,7,9,15-16H,11H2,1H3
InChIKey
ZHUOIWYYQHIQCO-UHFFFAOYSA-N
Compound name
4-amino-6-(5,6-dihydroxycyclohexa-1,3-dien-1-yl)-3-methyl-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09094 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09822 151.9
[M+Na]+ 259.08016 164.8
[M+NH4]+ 254.12476 157.2
[M+K]+ 275.05410 160.7
[M-H]- 235.08366 153.0
[M+Na-2H]- 257.06561 157.5
[M]+ 236.09039 153.7
[M]- 236.09149 153.7
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.