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]+ 227.084876 149.7
[M+Na]+ 249.066818 158.3
[M-H]- 225.070324 150.1
[M+NH4]+ 244.111423 169.0
[M+K]+ 265.040758 153.2
[M+H-H2O]+ 209.074860 145.0
[M+HCOO]- 271.075801 159.1
[M+CH3COO]- 285.091451 182.0
[M+Na-2H]- 247.052266 147.9
[M]+ 226.07705142 144.4
[M]- 226.07814858 144.4
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.