CID 211562

23348-47-2

Structural Information

Molecular Formula
C23H22F3N3O2
SMILES
C1COCCN1CCN2C(=O)C(=CC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C23H22F3N3O2/c24-23(25,26)19-8-4-7-18(15-19)20-16-21(17-5-2-1-3-6-17)27-29(22(20)30)10-9-28-11-13-31-14-12-28/h1-8,15-16H,9-14H2
InChIKey
KHVSTLBOCSKDSZ-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethyl)-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.1664 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.17368 206.0
[M+Na]+ 452.15562 212.6
[M-H]- 428.15912 210.4
[M+NH4]+ 447.20022 209.1
[M+K]+ 468.12956 205.6
[M+H-H2O]+ 412.16366 189.8
[M+HCOO]- 474.16460 215.7
[M+CH3COO]- 488.18025 212.2
[M+Na-2H]- 450.14107 206.9
[M]+ 429.16585 200.1
[M]- 429.16695 200.1
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.