CID 48588

Barbituric acid, 5,5-bis(2-cyclohexylethyl)-, sodium salt

Structural Information

Molecular Formula
C20H32N2O3
SMILES
C1CCC(CC1)CCC2(C(=O)NC(=O)NC2=O)CCC3CCCCC3
InChI
InChI=1S/C20H32N2O3/c23-17-20(18(24)22-19(25)21-17,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h15-16H,1-14H2,(H2,21,22,23,24,25)
InChIKey
AOMAUCQVBJUIMY-UHFFFAOYSA-N
Compound name
5,5-bis(2-cyclohexylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2413 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24858 190.8
[M+Na]+ 371.23052 198.4
[M+NH4]+ 366.27512 197.5
[M+K]+ 387.20446 189.9
[M-H]- 347.23402 192.9
[M+Na-2H]- 369.21597 193.9
[M]+ 348.24075 192.0
[M]- 348.24185 192.0
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.