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
5
Annotation Hits

31
References

21893
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 153.4
[M+Na]+ 257.12605 165.0
[M+NH4]+ 252.17065 161.2
[M+K]+ 273.09999 160.3
[M-H]- 233.12955 155.4
[M+Na-2H]- 255.11150 157.8
[M]+ 234.13628 155.3
[M]- 234.13738 155.3
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

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