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]+ 239.175396 154.8
[M+Na]+ 261.157338 164.2
[M-H]- 237.160844 155.0
[M+NH4]+ 256.201943 170.3
[M+K]+ 277.131278 160.4
[M+H-H2O]+ 221.165380 147.9
[M+HCOO]- 283.166321 173.8
[M+CH3COO]- 297.181971 194.2
[M+Na-2H]- 259.142786 156.5
[M]+ 238.16757142 157.8
[M]- 238.16866858 157.8
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.