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]+ 335.175396 181.4
[M+Na]+ 357.157338 186.2
[M-H]- 333.160844 190.4
[M+NH4]+ 352.201943 192.9
[M+K]+ 373.131278 180.1
[M+H-H2O]+ 317.165380 170.1
[M+HCOO]- 379.166321 197.5
[M+CH3COO]- 393.181971 190.4
[M+Na-2H]- 355.142786 179.3
[M]+ 334.16757142 175.0
[M]- 334.16866858 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.