CID 115516

Sodium 1,4-dipropyl-7,9-diazaspiro(4.5)decane-6,8,10-trione

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCCC1CCC(C12C(=O)NC(=O)NC2=O)CCC
InChI
InChI=1S/C14H22N2O3/c1-3-5-9-7-8-10(6-4-2)14(9)11(17)15-13(19)16-12(14)18/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18,19)
InChIKey
RZIFHDHZVJMIEF-UHFFFAOYSA-N
Compound name
1,4-dipropyl-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

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 163.7
[M+Na]+ 289.152278 170.2
[M-H]- 265.155784 163.4
[M+NH4]+ 284.196883 180.6
[M+K]+ 305.126218 165.4
[M+H-H2O]+ 249.160320 157.5
[M+HCOO]- 311.161261 177.0
[M+CH3COO]- 325.176911 192.5
[M+Na-2H]- 287.137726 162.5
[M]+ 266.16251142 158.6
[M]- 266.16360858 158.6
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.