CID 209777

Brn 0633191

Structural Information

Molecular Formula
C25H19F3N2O3
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCC(=O)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C25H19F3N2O3/c26-25(27,28)18-9-7-8-17(16-18)22(31)15-14-21-23(32)29(19-10-3-1-4-11-19)30(24(21)33)20-12-5-2-6-13-20/h1-13,16,21H,14-15H2
InChIKey
QEOGBZCMCAYEEL-UHFFFAOYSA-N
Compound name
4-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.13477 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.14205 207.4
[M+Na]+ 475.12399 214.6
[M-H]- 451.12749 213.7
[M+NH4]+ 470.16859 214.2
[M+K]+ 491.09793 207.1
[M+H-H2O]+ 435.13203 193.5
[M+HCOO]- 497.13297 220.8
[M+CH3COO]- 511.14862 230.7
[M+Na-2H]- 473.10944 203.9
[M]+ 452.13422 203.5
[M]- 452.13532 203.5
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

patents stripe