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: 23563
Patents: 234.13683 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe