CID 48550

Barbituric acid, 5-allyl-5-(2-methylallyl)-, sodium salt

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC(=C)CC1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C11H14N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4H,1-2,5-6H2,3H3,(H2,12,13,14,15,16)
InChIKey
OEKGSCSLYOYXDZ-UHFFFAOYSA-N
Compound name
5-(2-methylprop-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

222.10045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 148.4
[M+Na]+ 245.08967 155.9
[M-H]- 221.09317 146.4
[M+NH4]+ 240.13427 164.8
[M+K]+ 261.06361 151.6
[M+H-H2O]+ 205.09771 143.1
[M+HCOO]- 267.09865 163.0
[M+CH3COO]- 281.11430 184.7
[M+Na-2H]- 243.07512 149.9
[M]+ 222.09990 143.9
[M]- 222.10100 143.9
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.