CID 388186

Nsc682751

Structural Information

Molecular Formula
C21H18Cl2N2O4
SMILES
CCC1(C(=O)N(N(C1=O)C(=O)C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)Cl)CC
InChI
InChI=1S/C21H18Cl2N2O4/c1-3-21(4-2)19(28)24(17(26)13-9-11-14(22)12-10-13)25(20(21)29)18(27)15-7-5-6-8-16(15)23/h5-12H,3-4H2,1-2H3
InChIKey
FVOYDEJWHVOVFB-UHFFFAOYSA-N
Compound name
1-(2-chlorobenzoyl)-2-(4-chlorobenzoyl)-4,4-diethylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.06436 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.07164 194.4
[M+Na]+ 455.05358 204.7
[M-H]- 431.05708 201.8
[M+NH4]+ 450.09818 206.8
[M+K]+ 471.02752 198.0
[M+H-H2O]+ 415.06162 186.6
[M+HCOO]- 477.06256 203.1
[M+CH3COO]- 491.07821 224.4
[M+Na-2H]- 453.03903 190.8
[M]+ 432.06381 200.0
[M]- 432.06491 200.0
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.