CID 115575

Sodium spiro(2,5-diethylcyclopentane barbiturate)

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCC1CCC(C12C(=O)NC(=O)NC2=O)CC
InChI
InChI=1S/C12H18N2O3/c1-3-7-5-6-8(4-2)12(7)9(15)13-11(17)14-10(12)16/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKey
LXFHJZVMJCBTGQ-UHFFFAOYSA-N
Compound name
1,4-diethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 156.9
[M+Na]+ 261.12096 165.3
[M+NH4]+ 256.16556 163.8
[M+K]+ 277.09490 160.7
[M-H]- 237.12446 155.7
[M+Na-2H]- 259.10641 158.7
[M]+ 238.13119 157.3
[M]- 238.13229 157.3
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.