CID 58562

101590-16-3

Structural Information

Molecular Formula
C12H19N3O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)N2CCC(CC2)C
InChI
InChI=1S/C12H19N3O3/c1-3-12(15-6-4-8(2)5-7-15)9(16)13-11(18)14-10(12)17/h8H,3-7H2,1-2H3,(H2,13,14,16,17,18)
InChIKey
CMMVSWXCSGSQDS-UHFFFAOYSA-N
Compound name
5-ethyl-5-(4-methylpiperidin-1-yl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14264 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.149916 161.4
[M+Na]+ 276.131858 167.3
[M-H]- 252.135364 160.6
[M+NH4]+ 271.176463 174.8
[M+K]+ 292.105798 163.2
[M+H-H2O]+ 236.139900 153.6
[M+HCOO]- 298.140841 171.9
[M+CH3COO]- 312.156491 189.8
[M+Na-2H]- 274.117306 161.9
[M]+ 253.14209142 153.3
[M]- 253.14318858 153.3
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.