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
5
Annotation Hits

87
References

14141
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

literature stripe

Patent stripe

patents stripe