CID 16559

Lenacil

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O
InChI
InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
InChIKey
ZTMKADLOSYKWCA-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

31
References

26499
Patents

234.13683 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 152.6
[M+Na]+ 257.12605 159.6
[M-H]- 233.12955 155.7
[M+NH4]+ 252.17065 169.7
[M+K]+ 273.09999 154.8
[M+H-H2O]+ 217.13409 144.6
[M+HCOO]- 279.13503 168.7
[M+CH3COO]- 293.15068 163.5
[M+Na-2H]- 255.11150 154.7
[M]+ 234.13628 146.9
[M]- 234.13738 146.9
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.