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]+ 268.165576 165.7
[M+Na]+ 290.147518 170.2
[M-H]- 266.151024 164.3
[M+NH4]+ 285.192123 178.2
[M+K]+ 306.121458 165.8
[M+H-H2O]+ 250.155560 157.3
[M+HCOO]- 312.156501 175.8
[M+CH3COO]- 326.172151 191.5
[M+Na-2H]- 288.132966 166.4
[M]+ 267.15775142 157.5
[M]- 267.15884858 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.