CID 205925

Uracil, 1-allyl-6-chloro-3-methyl-5-propyl-

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
CCCC1=C(N(C(=O)N(C1=O)C)CC=C)Cl
InChI
InChI=1S/C11H15ClN2O2/c1-4-6-8-9(12)14(7-5-2)11(16)13(3)10(8)15/h5H,2,4,6-7H2,1,3H3
InChIKey
AYANZKYPCIEPLH-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-1-prop-2-enyl-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0822 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08948 148.4
[M+Na]+ 265.07142 161.1
[M-H]- 241.07492 150.3
[M+NH4]+ 260.11602 165.4
[M+K]+ 281.04536 155.9
[M+H-H2O]+ 225.07946 142.3
[M+HCOO]- 287.08040 166.0
[M+CH3COO]- 301.09605 194.1
[M+Na-2H]- 263.05687 151.7
[M]+ 242.08165 154.6
[M]- 242.08275 154.6
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.