CID 24187

5-(2-cyclohexyl-2-hydroxyethyl)-5-ethylbarbituric acid

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC(C2CCCCC2)O
InChI
InChI=1S/C14H22N2O4/c1-2-14(11(18)15-13(20)16-12(14)19)8-10(17)9-6-4-3-5-7-9/h9-10,17H,2-8H2,1H3,(H2,15,16,18,19,20)
InChIKey
IVLKMPFIHGOSCI-UHFFFAOYSA-N
Compound name
5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16524 168.4
[M+Na]+ 305.14718 175.6
[M+NH4]+ 300.19178 174.0
[M+K]+ 321.12112 170.2
[M-H]- 281.15068 167.1
[M+Na-2H]- 303.13263 170.3
[M]+ 282.15741 168.5
[M]- 282.15851 168.5
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.