CID 205926

1-allyl-6-chloro-3-ethyl-5-propyluracil

Structural Information

Molecular Formula
C12H17ClN2O2
SMILES
CCCC1=C(N(C(=O)N(C1=O)CC)CC=C)Cl
InChI
InChI=1S/C12H17ClN2O2/c1-4-7-9-10(13)15(8-5-2)12(17)14(6-3)11(9)16/h5H,2,4,6-8H2,1,3H3
InChIKey
DJFXRHQBEIYPCR-UHFFFAOYSA-N
Compound name
6-chloro-3-ethyl-1-prop-2-enyl-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.09787 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10515 155.8
[M+Na]+ 279.08709 170.5
[M+NH4]+ 274.13169 162.1
[M+K]+ 295.06103 163.1
[M-H]- 255.09059 155.9
[M+Na-2H]- 277.07254 160.5
[M]+ 256.09732 158.1
[M]- 256.09842 158.1
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.

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No patent data available for this compound.