CID 48534

5-allyl-5-(1-ethoxyethyl)barbituric acid

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CCOC(C)C1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C11H16N2O4/c1-4-6-11(7(3)17-5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey
KIWOHIFJWAHQOV-UHFFFAOYSA-N
Compound name
5-(1-ethoxyethyl)-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

240.11101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 155.7
[M+Na]+ 263.10023 164.1
[M+NH4]+ 258.14483 160.9
[M+K]+ 279.07417 158.7
[M-H]- 239.10373 152.5
[M+Na-2H]- 261.08568 157.4
[M]+ 240.11046 155.5
[M]- 240.11156 155.5
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.