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]+ 283.147476 166.2
[M+Na]+ 305.129418 173.0
[M-H]- 281.132924 165.9
[M+NH4]+ 300.174023 183.3
[M+K]+ 321.103358 167.1
[M+H-H2O]+ 265.137460 160.8
[M+HCOO]- 327.138401 174.4
[M+CH3COO]- 341.154051 194.0
[M+Na-2H]- 303.114866 162.6
[M]+ 282.13965142 162.3
[M]- 282.14074858 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.