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 199.5
[M+Na]+ 436.16072 207.0
[M-H]- 412.16422 204.2
[M+NH4]+ 431.20532 206.8
[M+K]+ 452.13466 198.5
[M+H-H2O]+ 396.16876 184.7
[M+HCOO]- 458.16970 212.5
[M+CH3COO]- 472.18535 206.9
[M+Na-2H]- 434.14617 198.3
[M]+ 413.17095 194.3
[M]- 413.17205 194.3
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.