CID 201492

Da-231

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c1-2-9-16-17(21)19(14-10-5-3-6-11-14)20(18(16)22)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3
InChIKey
FFVLWIPQVZKVDU-UHFFFAOYSA-N
Compound name
1,2-diphenyl-4-propylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

294.13684 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 169.3
[M+Na]+ 317.12606 177.5
[M-H]- 293.12956 176.6
[M+NH4]+ 312.17066 183.6
[M+K]+ 333.10000 172.1
[M+H-H2O]+ 277.13410 159.6
[M+HCOO]- 339.13504 189.7
[M+CH3COO]- 353.15069 202.8
[M+Na-2H]- 315.11151 169.9
[M]+ 294.13629 169.0
[M]- 294.13739 169.0
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

patents stripe