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]+ 253.15468 157.9
[M+Na]+ 275.13662 166.7
[M-H]- 251.14012 158.6
[M+NH4]+ 270.18122 176.0
[M+K]+ 291.11056 162.2
[M+H-H2O]+ 235.14466 152.8
[M+HCOO]- 297.14560 171.5
[M+CH3COO]- 311.16125 192.2
[M+Na-2H]- 273.12207 156.1
[M]+ 252.14685 153.3
[M]- 252.14795 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.