CID 3035075

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

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CCCC1CCC(C12C(=O)NC(=S)NC2=O)CCC
InChI
InChI=1S/C14H22N2O2S/c1-3-5-9-7-8-10(6-4-2)14(9)11(17)15-13(19)16-12(14)18/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKey
LMEHPOUEYHBLSH-UHFFFAOYSA-N
Compound name
1,4-dipropyl-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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 166.2
[M+Na]+ 305.12942 173.0
[M-H]- 281.13292 165.9
[M+NH4]+ 300.17402 183.3
[M+K]+ 321.10336 167.1
[M+H-H2O]+ 265.13746 160.8
[M+HCOO]- 327.13840 174.4
[M+CH3COO]- 341.15405 194.0
[M+Na-2H]- 303.11487 162.6
[M]+ 282.13965 162.3
[M]- 282.14075 162.3
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.