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

2
Annotation Hits: 0
References: 6290
Patents: 258.11505 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.122326	159.6
[M+Na]+	281.104268	170.3
[M-H]-	257.107774	159.9
[M+NH4]+	276.148873	173.6
[M+K]+	297.078208	166.1
[M+H-H2O]+	241.112310	152.3
[M+HCOO]-	303.113251	174.1
[M+CH3COO]-	317.128901	197.5
[M+Na-2H]-	279.089716	161.1
[M]+	258.11450142	163.9
[M]-	258.11559858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe