CID 53396340

5-oxolenacil

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C1CCC(CC1)N2C(=O)C3=C(CCC3=O)NC2=O
InChI
InChI=1S/C13H16N2O3/c16-10-7-6-9-11(10)12(17)15(13(18)14-9)8-4-2-1-3-5-8/h8H,1-7H2,(H,14,18)
InChIKey
NNPFLBDSCLFQNM-UHFFFAOYSA-N
Compound name
3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 155.6
[M+Na]+ 271.10531 167.1
[M+NH4]+ 266.14991 162.6
[M+K]+ 287.07925 163.1
[M-H]- 247.10881 156.9
[M+Na-2H]- 269.09076 159.2
[M]+ 248.11554 157.2
[M]- 248.11664 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.