CID 388183

Nsc682748

Structural Information

Molecular Formula
C23H24N2O4
SMILES
CCC1(C(=O)N(N(C1=O)C(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C)CC
InChI
InChI=1S/C23H24N2O4/c1-5-23(6-2)21(28)24(19(26)17-11-7-15(3)8-12-17)25(22(23)29)20(27)18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3
InChIKey
OOYYZTRKMMSLOT-UHFFFAOYSA-N
Compound name
4,4-diethyl-1,2-bis(4-methylbenzoyl)pyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1736 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18088 191.6
[M+Na]+ 415.16282 200.1
[M-H]- 391.16632 199.6
[M+NH4]+ 410.20742 204.2
[M+K]+ 431.13676 195.5
[M+H-H2O]+ 375.17086 182.8
[M+HCOO]- 437.17180 209.2
[M+CH3COO]- 451.18745 223.0
[M+Na-2H]- 413.14827 188.1
[M]+ 392.17305 194.5
[M]- 392.17415 194.5
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.