CID 3033380

66968-72-7

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CCC1(C(=O)NC(=S)NC1=O)C(C)C=C
InChI
InChI=1S/C10H14N2O2S/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
InChIKey
WNZAQJGCZRRQSX-UHFFFAOYSA-N
Compound name
5-but-3-en-2-yl-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0776 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 148.5
[M+Na]+ 249.06682 155.8
[M-H]- 225.07032 146.4
[M+NH4]+ 244.11142 165.2
[M+K]+ 265.04076 150.8
[M+H-H2O]+ 209.07486 143.5
[M+HCOO]- 271.07580 157.5
[M+CH3COO]- 285.09145 184.1
[M+Na-2H]- 247.05227 147.6
[M]+ 226.07705 145.0
[M]- 226.07815 145.0
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.