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
4
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 154.4
[M+Na]+ 271.10531 162.5
[M-H]- 247.10881 157.9
[M+NH4]+ 266.14991 171.1
[M+K]+ 287.07925 157.7
[M+H-H2O]+ 231.11335 146.7
[M+HCOO]- 293.11429 170.8
[M+CH3COO]- 307.12994 189.6
[M+Na-2H]- 269.09076 156.0
[M]+ 248.11554 149.9
[M]- 248.11664 149.9
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.