CID 60292

5-ethyl-5-(2-piperidinoethyl)barbituric acid hydrochloride

Structural Information

Molecular Formula
C13H21N3O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCN2CCCCC2
InChI
InChI=1S/C13H21N3O3/c1-2-13(6-9-16-7-4-3-5-8-16)10(17)14-12(19)15-11(13)18/h2-9H2,1H3,(H2,14,15,17,18,19)
InChIKey
OYDGZNOKQHLZCF-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1583 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16558 166.1
[M+Na]+ 290.14752 174.7
[M+NH4]+ 285.19212 172.1
[M+K]+ 306.12146 168.0
[M-H]- 266.15102 165.3
[M+Na-2H]- 288.13297 169.1
[M]+ 267.15775 166.6
[M]- 267.15885 166.6
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.