CID 20054

5-cyclohexyl-1-(4-hydroxycyclohexyl)barbituric acid

Structural Information

Molecular Formula
C16H24N2O4
SMILES
C1CCC(CC1)C2C(=O)NC(=O)N(C2=O)C3CCC(CC3)O
InChI
InChI=1S/C16H24N2O4/c19-12-8-6-11(7-9-12)18-15(21)13(14(20)17-16(18)22)10-4-2-1-3-5-10/h10-13,19H,1-9H2,(H,17,20,22)
InChIKey
YQPCSOXZKARXNV-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1-(4-hydroxycyclohexyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 175.6
[M+Na]+ 331.16282 184.1
[M+NH4]+ 326.20742 181.0
[M+K]+ 347.13676 179.3
[M-H]- 307.16632 177.5
[M+Na-2H]- 329.14827 177.4
[M]+ 308.17305 176.7
[M]- 308.17415 176.7
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.