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]+ 243.089476 148.4
[M+Na]+ 265.071418 161.1
[M-H]- 241.074924 150.3
[M+NH4]+ 260.116023 165.4
[M+K]+ 281.045358 155.9
[M+H-H2O]+ 225.079460 142.3
[M+HCOO]- 287.080401 166.0
[M+CH3COO]- 301.096051 194.1
[M+Na-2H]- 263.056866 151.7
[M]+ 242.08165142 154.6
[M]- 242.08274858 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.