CID 202133

5-ethyl-5-(2-hydroxy-2-(3-pyridyl)ethyl)barbituric acid

Structural Information

Molecular Formula
C13H15N3O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC(C2=CN=CC=C2)O
InChI
InChI=1S/C13H15N3O4/c1-2-13(10(18)15-12(20)16-11(13)19)6-9(17)8-4-3-5-14-7-8/h3-5,7,9,17H,2,6H2,1H3,(H2,15,16,18,19,20)
InChIKey
RTDNYZBHDSIEDW-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-hydroxy-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.10626 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11354 164.0
[M+Na]+ 300.09548 174.0
[M+NH4]+ 295.14008 169.1
[M+K]+ 316.06942 168.5
[M-H]- 276.09898 162.6
[M+Na-2H]- 298.08093 168.4
[M]+ 277.10571 164.6
[M]- 277.10681 164.6
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.