CID 24186

1-allyl-5,5-diethylbarbituric acid

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC=C)CC
InChI
InChI=1S/C11H16N2O3/c1-4-7-13-9(15)11(5-2,6-3)8(14)12-10(13)16/h4H,1,5-7H2,2-3H3,(H,12,14,16)
InChIKey
IGIRIITWQIFRAW-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 147.9
[M+Na]+ 247.105308 156.7
[M-H]- 223.108814 147.6
[M+NH4]+ 242.149913 165.4
[M+K]+ 263.079248 153.4
[M+H-H2O]+ 207.113350 142.3
[M+HCOO]- 269.114291 164.8
[M+CH3COO]- 283.129941 188.4
[M+Na-2H]- 245.090756 150.5
[M]+ 224.11554142 147.0
[M]- 224.11663858 147.0
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.