CID 28340

1-cyclohexyl-5-(3-hydroxybutyl)barbituric acid

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CC(CCC1C(=O)NC(=O)N(C1=O)C2CCCCC2)O
InChI
InChI=1S/C14H22N2O4/c1-9(17)7-8-11-12(18)15-14(20)16(13(11)19)10-5-3-2-4-6-10/h9-11,17H,2-8H2,1H3,(H,15,18,20)
InChIKey
KWKUDHRFXHHXFJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-(3-hydroxybutyl)-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

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16524 167.9
[M+Na]+ 305.14718 175.9
[M+NH4]+ 300.19178 172.4
[M+K]+ 321.12112 172.1
[M-H]- 281.15068 167.2
[M+Na-2H]- 303.13263 168.5
[M]+ 282.15741 168.2
[M]- 282.15851 168.2
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.