CID 3061266

78945-52-5

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CC1(CC1CC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C21H22N2O2/c1-21(2)14-15(21)13-18-19(24)22(16-9-5-3-6-10-16)23(20(18)25)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3
InChIKey
BMLODIWSMKZHFY-UHFFFAOYSA-N
Compound name
4-[(2,2-dimethylcyclopropyl)methyl]-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

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 183.6
[M+Na]+ 357.15734 199.7
[M+NH4]+ 352.20194 193.1
[M+K]+ 373.13128 192.6
[M-H]- 333.16084 196.4
[M+Na-2H]- 355.14279 195.5
[M]+ 334.16757 190.9
[M]- 334.16867 190.9
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.