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 182.2
[M+Na]+ 357.15734 192.4
[M-H]- 333.16084 193.0
[M+NH4]+ 352.20194 192.3
[M+K]+ 373.13128 186.5
[M+H-H2O]+ 317.16538 173.3
[M+HCOO]- 379.16632 201.8
[M+CH3COO]- 393.18197 192.9
[M+Na-2H]- 355.14279 181.7
[M]+ 334.16757 184.7
[M]- 334.16867 184.7
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.