CID 101726

Eldoral

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)N2CCCCC2
InChI
InChI=1S/C11H17N3O3/c1-2-11(14-6-4-3-5-7-14)8(15)12-10(17)13-9(11)16/h2-7H2,1H3,(H2,12,13,15,16,17)
InChIKey
ZFVLHMJCLWOOOY-UHFFFAOYSA-N
Compound name
5-ethyl-5-piperidin-1-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

337
References

127
Patents

239.127 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 157.4
[M+Na]+ 262.11622 162.8
[M-H]- 238.11972 156.3
[M+NH4]+ 257.16082 171.1
[M+K]+ 278.09016 158.8
[M+H-H2O]+ 222.12426 149.4
[M+HCOO]- 284.12520 168.2
[M+CH3COO]- 298.14085 185.5
[M+Na-2H]- 260.10167 159.0
[M]+ 239.12645 148.5
[M]- 239.12755 148.5
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.