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]+ 269.149576 157.1
[M+Na]+ 291.131518 165.8
[M-H]- 267.135024 158.4
[M+NH4]+ 286.176123 175.4
[M+K]+ 307.105458 164.4
[M+H-H2O]+ 251.139560 152.0
[M+HCOO]- 313.140501 175.3
[M+CH3COO]- 327.156151 199.0
[M+Na-2H]- 289.116966 156.0
[M]+ 268.14175142 160.9
[M]- 268.14284858 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.