CID 35455

Feprazone

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC(=CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H20N2O2/c1-15(2)13-14-18-19(23)21(16-9-5-3-6-10-16)22(20(18)24)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3
InChIKey
RBBWCVQDXDFISW-UHFFFAOYSA-N
Compound name
4-(3-methylbut-2-enyl)-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

87
References

14391
Patents

320.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 177.3
[M+Na]+ 343.14169 184.6
[M-H]- 319.14519 184.4
[M+NH4]+ 338.18629 190.4
[M+K]+ 359.11563 178.7
[M+H-H2O]+ 303.14973 167.6
[M+HCOO]- 365.15067 196.2
[M+CH3COO]- 379.16632 208.2
[M+Na-2H]- 341.12714 175.8
[M]+ 320.15192 176.4
[M]- 320.15302 176.4
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.