CID 3025436

3-allyl-5-butyl-6-methyluracil

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCCCC1=C(NC(=O)N(C1=O)CC=C)C
InChI
InChI=1S/C12H18N2O2/c1-4-6-7-10-9(3)13-12(16)14(8-5-2)11(10)15/h5H,2,4,6-8H2,1,3H3,(H,13,16)
InChIKey
GSKQWQMTLLITRI-UHFFFAOYSA-N
Compound name
5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 149.0
[M+Na]+ 245.12605 159.3
[M-H]- 221.12955 149.2
[M+NH4]+ 240.17065 165.0
[M+K]+ 261.09999 154.7
[M+H-H2O]+ 205.13409 142.1
[M+HCOO]- 267.13503 169.4
[M+CH3COO]- 281.15068 189.5
[M+Na-2H]- 243.11150 152.4
[M]+ 222.13628 151.5
[M]- 222.13738 151.5
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.