CID 48542

2,4,6(1h,3h,5h)-pyrimidinetrione, 5-ethyl-5-(2-propenyl)-

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C9H12N2O3/c1-3-5-9(4-2)6(12)10-8(14)11-7(9)13/h3H,1,4-5H2,2H3,(H2,10,11,12,13,14)
InChIKey
QPADNTZLUBYNEN-UHFFFAOYSA-N
Compound name
5-ethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1548
Patents

196.0848 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 141.5
[M+Na]+ 219.07402 149.8
[M-H]- 195.07752 139.7
[M+NH4]+ 214.11862 159.1
[M+K]+ 235.04796 146.0
[M+H-H2O]+ 179.08206 136.2
[M+HCOO]- 241.08300 157.5
[M+CH3COO]- 255.09865 178.6
[M+Na-2H]- 217.05947 145.1
[M]+ 196.08425 137.5
[M]- 196.08535 137.5
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