CID 202192

Uracil, 3-cyclohexyl-1,6-dimethyl-

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CC1=CC(=O)N(C(=O)N1C)C2CCCCC2

InChI

InChI=1S/C12H18N2O2/c1-9-8-11(15)14(12(16)13(9)2)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3

InChIKey

MGWIFJQTMOFETJ-UHFFFAOYSA-N

Compound name

3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 222.13683 Da
Monoisotopic Mass: 1.6
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]+	223.144106	148.9
[M+Na]+	245.126048	157.6
[M-H]-	221.129554	153.1
[M+NH4]+	240.170653	165.0
[M+K]+	261.099988	154.3
[M+H-H2O]+	205.134090	140.7
[M+HCOO]-	267.135031	167.8
[M+CH3COO]-	281.150681	189.6
[M+Na-2H]-	243.111496	152.2
[M]+	222.13628142	147.1
[M]-	222.13737858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe