CID 3035079

Sodium spiro(2-ethyl-5-methylcyclopentane 2'-thiobarbiturate)

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CCC1CCC(C12C(=O)NC(=S)NC2=O)C
InChI
InChI=1S/C11H16N2O2S/c1-3-7-5-4-6(2)11(7)8(14)12-10(16)13-9(11)15/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKey
ZUXKNXSIYYEMIT-UHFFFAOYSA-N
Compound name
4-ethyl-1-methyl-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

240.09325 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 153.8
[M+Na]+ 263.08247 162.0
[M-H]- 239.08597 154.1
[M+NH4]+ 258.12707 172.6
[M+K]+ 279.05641 156.7
[M+H-H2O]+ 223.09051 149.0
[M+HCOO]- 285.09145 163.0
[M+CH3COO]- 299.10710 185.0
[M+Na-2H]- 261.06792 151.6
[M]+ 240.09270 148.9
[M]- 240.09380 148.9
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.