CID 30479

Metribuzin

Structural Information

Molecular Formula
C8H14N4OS
SMILES
CC(C)(C)C1=NN=C(N(C1=O)N)SC
InChI
InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
InChIKey
FOXFZRUHNHCZPX-UHFFFAOYSA-N
Compound name
4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

257
References

37569
Patents

214.08884 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09612 148.2
[M+Na]+ 237.07806 159.0
[M-H]- 213.08156 148.5
[M+NH4]+ 232.12266 163.9
[M+K]+ 253.05200 155.3
[M+H-H2O]+ 197.08610 141.2
[M+HCOO]- 259.08704 163.0
[M+CH3COO]- 273.10269 188.9
[M+Na-2H]- 235.06351 151.3
[M]+ 214.08829 150.8
[M]- 214.08939 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.