CID 3064852

Brn 0653415

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂S

SMILES

CCCC1(C(=O)NC(=O)NC1=S)CCC

InChI

InChI=1S/C10H16N2O2S/c1-3-5-10(6-4-2)7(13)11-9(14)12-8(10)15/h3-6H2,1-2H3,(H2,11,12,13,14,15)

InChIKey

GRANTAYVFQWTEZ-UHFFFAOYSA-N

Compound name

5,5-dipropyl-6-sulfanylidene-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 228.09325 Da
Monoisotopic Mass: 2.7
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]+	229.10053	154.0
[M+Na]+	251.08247	163.1
[M+NH4]+	246.12707	161.2
[M+K]+	267.05641	154.2
[M-H]-	227.08597	152.5
[M+Na-2H]-	249.06792	156.5
[M]+	228.09270	155.1
[M]-	228.09380	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe