CID 3033378

66968-62-5

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CCC1(C(=O)NC(=S)N(C1=O)C)C(=C)C
InChI
InChI=1S/C10H14N2O2S/c1-5-10(6(2)3)7(13)11-9(15)12(4)8(10)14/h2,5H2,1,3-4H3,(H,11,13,15)
InChIKey
AMFPMWDYWBTZCX-UHFFFAOYSA-N
Compound name
5-ethyl-1-methyl-5-prop-1-en-2-yl-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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 146.2
[M+Na]+ 249.06682 154.9
[M-H]- 225.07032 146.0
[M+NH4]+ 244.11142 164.0
[M+K]+ 265.04076 150.9
[M+H-H2O]+ 209.07486 141.4
[M+HCOO]- 271.07580 156.8
[M+CH3COO]- 285.09145 187.8
[M+Na-2H]- 247.05227 145.3
[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.