CID 211545

23348-17-6

Structural Information

Molecular Formula
C24H24F3N3O
SMILES
C1CCN(CC1)CCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C24H24F3N3O/c25-24(26,27)20-11-7-10-19(16-20)22-17-21(18-8-3-1-4-9-18)23(31)30(28-22)15-14-29-12-5-2-6-13-29/h1,3-4,7-11,16-17H,2,5-6,12-15H2
InChIKey
OGQKLKXZOLFXHF-UHFFFAOYSA-N
Compound name
4-phenyl-2-(2-piperidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.18713 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19441 204.6
[M+Na]+ 450.17635 217.0
[M+NH4]+ 445.22095 209.0
[M+K]+ 466.15029 208.6
[M-H]- 426.17985 206.4
[M+Na-2H]- 448.16180 212.4
[M]+ 427.18658 206.8
[M]- 427.18768 206.8
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.