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]+ 223.14411 147.8
[M+Na]+ 245.12605 158.6
[M-H]- 221.12955 149.4
[M+NH4]+ 240.17065 164.6
[M+K]+ 261.09999 154.9
[M+H-H2O]+ 205.13409 140.7
[M+HCOO]- 267.13503 169.8
[M+CH3COO]- 281.15068 192.1
[M+Na-2H]- 243.11150 151.8
[M]+ 222.13628 152.3
[M]- 222.13738 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.