CID 3021919

3-butyl-5-isobutyl-6-methyluracil

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CCCCN1C(=O)C(=C(NC1=O)C)CC(C)C
InChI
InChI=1S/C13H22N2O2/c1-5-6-7-15-12(16)11(8-9(2)3)10(4)14-13(15)17/h9H,5-8H2,1-4H3,(H,14,17)
InChIKey
MDTBOWUPXIRDGP-UHFFFAOYSA-N
Compound name
3-butyl-6-methyl-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17540 156.6
[M+Na]+ 261.15734 169.0
[M+NH4]+ 256.20194 162.3
[M+K]+ 277.13128 163.2
[M-H]- 237.16084 156.1
[M+Na-2H]- 259.14279 160.3
[M]+ 238.16757 158.0
[M]- 238.16867 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.