CID 210803

Uracil, 1-allyl-3-ethyl-5-propyl-

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCCC1=CN(C(=O)N(C1=O)CC)CC=C
InChI
InChI=1S/C12H18N2O2/c1-4-7-10-9-13(8-5-2)12(16)14(6-3)11(10)15/h5,9H,2,4,6-8H2,1,3H3
InChIKey
JNMBGUGJRUVDOZ-UHFFFAOYSA-N
Compound name
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

222.13683 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 147.8
[M+Na]+ 245.126048 158.6
[M-H]- 221.129554 149.4
[M+NH4]+ 240.170653 164.6
[M+K]+ 261.099988 154.9
[M+H-H2O]+ 205.134090 140.7
[M+HCOO]- 267.135031 169.8
[M+CH3COO]- 281.150681 192.1
[M+Na-2H]- 243.111496 151.8
[M]+ 222.13628142 152.3
[M]- 222.13737858 152.3
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.