CID 3035073

Sodium spiro(2,5-dimethylcyclopentane 2'-thiobarbiturate)

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CC1CCC(C12C(=O)NC(=S)NC2=O)C
InChI
InChI=1S/C10H14N2O2S/c1-5-3-4-6(2)10(5)7(13)11-9(15)12-8(10)14/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKey
LIEGVLZKZDTEDD-UHFFFAOYSA-N
Compound name
1,4-dimethyl-8-sulfanylidene-7,9-diazaspiro[4.5]decane-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 152.7
[M+Na]+ 249.06682 161.3
[M+NH4]+ 244.11142 160.8
[M+K]+ 265.04076 154.6
[M-H]- 225.07032 152.2
[M+Na-2H]- 247.05227 154.8
[M]+ 226.07705 154.0
[M]- 226.07815 154.0
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.