CID 388182

Nsc682747

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CCC(=O)N1C(=O)C(C(=O)N1C(=O)CC)(CC)CC
InChI
InChI=1S/C13H20N2O4/c1-5-9(16)14-11(18)13(7-3,8-4)12(19)15(14)10(17)6-2/h5-8H2,1-4H3
InChIKey
BTKHZIHXSAKXCF-UHFFFAOYSA-N
Compound name
4,4-diethyl-1,2-di(propanoyl)pyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 157.1
[M+Na]+ 291.13152 165.8
[M-H]- 267.13502 158.4
[M+NH4]+ 286.17612 175.4
[M+K]+ 307.10546 164.4
[M+H-H2O]+ 251.13956 152.0
[M+HCOO]- 313.14050 175.3
[M+CH3COO]- 327.15615 199.0
[M+Na-2H]- 289.11697 156.0
[M]+ 268.14175 160.9
[M]- 268.14285 160.9
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.