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]+	229.100526	149.8
[M+Na]+	251.082468	157.1
[M-H]-	227.085974	147.6
[M+NH4]+	246.127073	166.6
[M+K]+	267.056408	152.2
[M+H-H2O]+	211.090510	144.5
[M+HCOO]-	273.091451	159.7
[M+CH3COO]-	287.107101	184.1
[M+Na-2H]-	249.067916	149.9
[M]+	228.09270142	147.6
[M]-	228.09379858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe