CID 3021772

5-butyl-3-ethyl-6-methyluracil

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

CCCCC1=C(NC(=O)N(C1=O)CC)C

InChI

InChI=1S/C11H18N2O2/c1-4-6-7-9-8(3)12-11(15)13(5-2)10(9)14/h4-7H2,1-3H3,(H,12,15)

InChIKey

STIRJGHZAQEXHK-UHFFFAOYSA-N

Compound name

5-butyl-3-ethyl-6-methyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.13683 Da
Monoisotopic Mass: 1.8
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]+	211.144106	146.0
[M+Na]+	233.126048	156.5
[M-H]-	209.129554	146.3
[M+NH4]+	228.170653	162.6
[M+K]+	249.099988	152.7
[M+H-H2O]+	193.134090	139.2
[M+HCOO]-	255.135031	166.5
[M+CH3COO]-	269.150681	187.3
[M+Na-2H]-	231.111496	149.8
[M]+	210.13628142	148.9
[M]-	210.13737858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.