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]+ 254.14992 161.4
[M+Na]+ 276.13186 167.3
[M-H]- 252.13536 160.6
[M+NH4]+ 271.17646 174.8
[M+K]+ 292.10580 163.2
[M+H-H2O]+ 236.13990 153.6
[M+HCOO]- 298.14084 171.9
[M+CH3COO]- 312.15649 189.8
[M+Na-2H]- 274.11731 161.9
[M]+ 253.14209 153.3
[M]- 253.14319 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.