CID 3033291

64038-17-1

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CCC1(C(=O)NC(=S)N(C1=O)C)C(C)C
InChI
InChI=1S/C10H16N2O2S/c1-5-10(6(2)3)7(13)11-9(15)12(4)8(10)14/h6H,5H2,1-4H3,(H,11,13,15)
InChIKey
RLVTYIDKMICCBU-UHFFFAOYSA-N
Compound name
5-ethyl-1-methyl-5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09325 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10053 154.0
[M+Na]+ 251.08247 163.7
[M+NH4]+ 246.12707 161.4
[M+K]+ 267.05641 155.4
[M-H]- 227.08597 152.8
[M+Na-2H]- 249.06792 156.5
[M]+ 228.09270 155.3
[M]- 228.09380 155.3
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.