CID 3035089

Sodium spiro(3-(n-butyl)-2,5-dimethylcyclopentane 2'-thiobarbiturate)

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CCCCC1CC(C(C12C(=O)NC(=S)NC2=O)C)C
InChI
InChI=1S/C14H22N2O2S/c1-4-5-6-10-7-8(2)9(3)14(10)11(17)15-13(19)16-12(14)18/h8-10H,4-7H2,1-3H3,(H2,15,16,17,18,19)
InChIKey
ZGOWWNILCPLIKC-UHFFFAOYSA-N
Compound name
4-butyl-1,2-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

282.1402 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 169.6
[M+Na]+ 305.12942 177.7
[M+NH4]+ 300.17402 177.0
[M+K]+ 321.10336 170.3
[M-H]- 281.13292 168.9
[M+Na-2H]- 303.11487 170.5
[M]+ 282.13965 170.7
[M]- 282.14075 170.7
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.