CID 20162

1-cyclohexyl-5-hexylbarbituric acid

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CCCCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2
InChI
InChI=1S/C16H26N2O3/c1-2-3-4-8-11-13-14(19)17-16(21)18(15(13)20)12-9-6-5-7-10-12/h12-13H,2-11H2,1H3,(H,17,19,21)
InChIKey
MSNOVYXXOZYRDG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

294.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20162 173.5
[M+Na]+ 317.18356 176.9
[M-H]- 293.18706 174.2
[M+NH4]+ 312.22816 185.2
[M+K]+ 333.15750 172.5
[M+H-H2O]+ 277.19160 164.6
[M+HCOO]- 339.19254 185.3
[M+CH3COO]- 353.20819 201.7
[M+Na-2H]- 315.16901 171.2
[M]+ 294.19379 167.6
[M]- 294.19489 167.6
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

patents stripe