CID 211559

23348-41-6

Structural Information

Molecular Formula
C22H22FN3O2
SMILES
C1COCCN1CCN2C(=O)C(=C(C=N2)C3=CC=CC=C3)C4=CC(=CC=C4)F
InChI
InChI=1S/C22H22FN3O2/c23-19-8-4-7-18(15-19)21-20(17-5-2-1-3-6-17)16-24-26(22(21)27)10-9-25-11-13-28-14-12-25/h1-8,15-16H,9-14H2
InChIKey
VWAAUHLNJPQXOB-UHFFFAOYSA-N
Compound name
4-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-5-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.16962 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17690 194.1
[M+Na]+ 402.15884 200.6
[M-H]- 378.16234 201.1
[M+NH4]+ 397.20344 199.2
[M+K]+ 418.13278 194.2
[M+H-H2O]+ 362.16688 179.5
[M+HCOO]- 424.16782 208.0
[M+CH3COO]- 438.18347 201.9
[M+Na-2H]- 400.14429 196.0
[M]+ 379.16907 190.5
[M]- 379.17017 190.5
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.