CID 115532

Sodium 1-ethyl-2,3,4-trimethyl-7,9-diazaspiro(4.5)decane-6,8,10-trione

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CCC1C(C(C(C12C(=O)NC(=O)NC2=O)C)C)C
InChI
InChI=1S/C13H20N2O3/c1-5-9-7(3)6(2)8(4)13(9)10(16)14-12(18)15-11(13)17/h6-9H,5H2,1-4H3,(H2,14,15,16,17,18)
InChIKey
FZLUEPKBKCZTPU-UHFFFAOYSA-N
Compound name
4-ethyl-1,2,3-trimethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 157.9
[M+Na]+ 275.136618 166.7
[M-H]- 251.140124 158.6
[M+NH4]+ 270.181223 176.0
[M+K]+ 291.110558 162.2
[M+H-H2O]+ 235.144660 152.8
[M+HCOO]- 297.145601 171.5
[M+CH3COO]- 311.161251 192.2
[M+Na-2H]- 273.122066 156.1
[M]+ 252.14685142 153.3
[M]- 252.14794858 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.