CID 210588

1-(4-hydroxycyclohexyl)-5-propylbarbituric acid

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
InChI
InChI=1S/C13H20N2O4/c1-2-3-10-11(17)14-13(19)15(12(10)18)8-4-6-9(16)7-5-8/h8-10,16H,2-7H2,1H3,(H,14,17,19)
InChIKey
WKFVLXPVWIQVMJ-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 164.0
[M+Na]+ 291.13152 173.1
[M+NH4]+ 286.17612 168.9
[M+K]+ 307.10546 168.7
[M-H]- 267.13502 163.7
[M+Na-2H]- 289.11697 165.0
[M]+ 268.14175 164.6
[M]- 268.14285 164.6
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.