CID 3035081

Sodium spiro(2-methyl-5-propylcyclopentane 2'-thiobarbiturate)

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CCCC1CCC(C12C(=O)NC(=S)NC2=O)C
InChI
InChI=1S/C12H18N2O2S/c1-3-4-8-6-5-7(2)12(8)9(15)13-11(17)14-10(12)16/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKey
HGQUORCGSDSIED-UHFFFAOYSA-N
Compound name
1-methyl-4-propyl-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

254.1089 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 161.1
[M+Na]+ 277.09812 169.3
[M+NH4]+ 272.14272 168.8
[M+K]+ 293.07206 162.1
[M-H]- 253.10162 160.5
[M+Na-2H]- 275.08357 162.7
[M]+ 254.10835 162.2
[M]- 254.10945 162.2
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.