CID 118748

Brn 0319023

Structural Information

Molecular Formula
C21H22N2O2
SMILES
C1CCC(CC1)C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2O2/c24-20-19(16-10-4-1-5-11-16)21(25)23(18-14-8-3-9-15-18)22(20)17-12-6-2-7-13-17/h2-3,6-9,12-16,19H,1,4-5,10-11H2
InChIKey
YDCOXXVQLZXFRV-UHFFFAOYSA-N
Compound name
4-cyclohexyl-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 181.4
[M+Na]+ 357.15734 186.2
[M-H]- 333.16084 190.4
[M+NH4]+ 352.20194 192.9
[M+K]+ 373.13128 180.1
[M+H-H2O]+ 317.16538 170.1
[M+HCOO]- 379.16632 197.5
[M+CH3COO]- 393.18197 190.4
[M+Na-2H]- 355.14279 179.3
[M]+ 334.16757 175.0
[M]- 334.16867 175.0
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.