CID 156901

Ametridione

Structural Information

Molecular Formula
C10H18N4O2S
SMILES
CCSC1=NC(=O)N(C(=O)N1N)CC(C)(C)C
InChI
InChI=1S/C10H18N4O2S/c1-5-17-8-12-7(15)13(6-10(2,3)4)9(16)14(8)11/h5-6,11H2,1-4H3
InChIKey
KOKBUARVIJVMMM-UHFFFAOYSA-N
Compound name
1-amino-3-(2,2-dimethylpropyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5900
Patents

258.11505 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12233 159.6
[M+Na]+ 281.10427 170.3
[M-H]- 257.10777 159.9
[M+NH4]+ 276.14887 173.6
[M+K]+ 297.07821 166.1
[M+H-H2O]+ 241.11231 152.3
[M+HCOO]- 303.11325 174.1
[M+CH3COO]- 317.12890 197.5
[M+Na-2H]- 279.08972 161.1
[M]+ 258.11450 163.9
[M]- 258.11560 163.9
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

patents stripe