CID 115520

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

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCCC1CC(C(C12C(=O)NC(=O)NC2=O)C)CC
InChI
InChI=1S/C14H22N2O3/c1-4-6-10-7-9(5-2)8(3)14(10)11(17)15-13(19)16-12(14)18/h8-10H,4-7H2,1-3H3,(H2,15,16,17,18,19)
InChIKey
SMQSYKYZJSAFJW-UHFFFAOYSA-N
Compound name
2-ethyl-1-methyl-4-propyl-7,9-diazaspiro[4.5]decane-6,8,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16306 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 163.0
[M+Na]+ 289.15228 170.5
[M-H]- 265.15578 163.2
[M+NH4]+ 284.19688 180.3
[M+K]+ 305.12622 165.7
[M+H-H2O]+ 249.16032 157.3
[M+HCOO]- 311.16126 176.3
[M+CH3COO]- 325.17691 193.8
[M+Na-2H]- 287.13773 161.3
[M]+ 266.16251 158.4
[M]- 266.16361 158.4
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.