CID 3021773

91216-50-1

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CCCCC1=C(NC(=O)N(C1=O)C)CC
InChI
InChI=1S/C11H18N2O2/c1-4-6-7-8-9(5-2)12-11(15)13(3)10(8)14/h4-7H2,1-3H3,(H,12,15)
InChIKey
UFUBUFQCWRNFNY-UHFFFAOYSA-N
Compound name
5-butyl-6-ethyl-3-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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.