CID 5475153

67050-00-4

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CCC1(C(=O)NC(=S)NC1=O)C/C=C/C
InChI
InChI=1S/C10H14N2O2S/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3,5H,4,6H2,1-2H3,(H2,11,12,13,14,15)/b5-3+
InChIKey
QCXQHOFJDTZLMI-HWKANZROSA-N
Compound name
5-[(E)-but-2-enyl]-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

226.0776 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 149.0
[M+Na]+ 249.06682 156.8
[M-H]- 225.07032 146.9
[M+NH4]+ 244.11142 165.9
[M+K]+ 265.04076 151.2
[M+H-H2O]+ 209.07486 143.9
[M+HCOO]- 271.07580 159.2
[M+CH3COO]- 285.09145 182.6
[M+Na-2H]- 247.05227 149.1
[M]+ 226.07705 146.0
[M]- 226.07815 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.