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 206.4
[M+Na]+ 450.17635 212.4
[M-H]- 426.17985 209.9
[M+NH4]+ 445.22095 210.9
[M+K]+ 466.15029 203.5
[M+H-H2O]+ 410.18439 190.1
[M+HCOO]- 472.18533 216.4
[M+CH3COO]- 486.20098 212.2
[M+Na-2H]- 448.16180 206.4
[M]+ 427.18658 198.9
[M]- 427.18768 198.9
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.