CID 165554

N(1),n(3)-diallyluracil

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C=CCN1C=CC(=O)N(C1=O)CC=C
InChI
InChI=1S/C10H12N2O2/c1-3-6-11-8-5-9(13)12(7-4-2)10(11)14/h3-5,8H,1-2,6-7H2
InChIKey
RDFAAIUDYVIXJT-UHFFFAOYSA-N
Compound name
1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

192.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 137.8
[M+Na]+ 215.07909 148.8
[M-H]- 191.08259 139.3
[M+NH4]+ 210.12369 155.3
[M+K]+ 231.05303 144.9
[M+H-H2O]+ 175.08713 130.8
[M+HCOO]- 237.08807 160.6
[M+CH3COO]- 251.10372 183.9
[M+Na-2H]- 213.06454 143.5
[M]+ 192.08932 140.4
[M]- 192.09042 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe