CID 211586

Ridaflone

Structural Information

Molecular Formula
C23H22F3N3O
SMILES
C1CCN(C1)CCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C23H22F3N3O/c24-23(25,26)19-10-6-9-18(15-19)21-16-20(17-7-2-1-3-8-17)22(30)29(27-21)14-13-28-11-4-5-12-28/h1-3,6-10,15-16H,4-5,11-14H2
InChIKey
QZZKQYACHMVOFV-UHFFFAOYSA-N
Compound name
4-phenyl-2-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.1715 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17878 200.6
[M+Na]+ 436.16072 212.2
[M+NH4]+ 431.20532 204.9
[M+K]+ 452.13466 206.0
[M-H]- 412.16422 201.7
[M+Na-2H]- 434.14617 207.7
[M]+ 413.17095 202.4
[M]- 413.17205 202.4
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.