CID 57582

Barbituric acid, 5-allyl-5-(2-hydroxyallyl)-

Structural Information

Molecular Formula
C10H12N2O4
SMILES
C=CCC1(C(=O)NC(=O)NC1=O)CC(=C)O
InChI
InChI=1S/C10H12N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,13H,1-2,4-5H2,(H2,11,12,14,15,16)
InChIKey
LJPPEXPOPSQRGX-UHFFFAOYSA-N
Compound name
5-(2-hydroxyprop-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07971 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 151.2
[M+Na]+ 247.06893 159.2
[M+NH4]+ 242.11353 155.8
[M+K]+ 263.04287 154.3
[M-H]- 223.07243 147.2
[M+Na-2H]- 245.05438 152.3
[M]+ 224.07916 150.5
[M]- 224.08026 150.5
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.