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 165.7
[M+Na]+ 290.14752 170.2
[M-H]- 266.15102 164.3
[M+NH4]+ 285.19212 178.2
[M+K]+ 306.12146 165.8
[M+H-H2O]+ 250.15556 157.3
[M+HCOO]- 312.15650 175.8
[M+CH3COO]- 326.17215 191.5
[M+Na-2H]- 288.13297 166.4
[M]+ 267.15775 157.5
[M]- 267.15885 157.5
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.