CID 211549

23348-28-9

Structural Information

Molecular Formula
C23H24ClN3O
SMILES
C1CCN(CC1)CCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H24ClN3O/c24-20-11-7-10-19(16-20)22-17-21(18-8-3-1-4-9-18)23(28)27(25-22)15-14-26-12-5-2-6-13-26/h1,3-4,7-11,16-17H,2,5-6,12-15H2
InChIKey
LOAYKKQTSXEZMP-UHFFFAOYSA-N
Compound name
6-(3-chlorophenyl)-4-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1608 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16808 197.1
[M+Na]+ 416.15002 203.5
[M-H]- 392.15352 204.0
[M+NH4]+ 411.19462 203.8
[M+K]+ 432.12396 194.6
[M+H-H2O]+ 376.15806 183.3
[M+HCOO]- 438.15900 207.6
[M+CH3COO]- 452.17465 204.5
[M+Na-2H]- 414.13547 198.2
[M]+ 393.16025 195.0
[M]- 393.16135 195.0
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.