CID 211546

23348-19-8

Structural Information

Molecular Formula
C24H26ClN3O
SMILES
C1CCN(CC1)CCCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C24H26ClN3O/c25-21-12-7-11-20(17-21)23-18-22(19-9-3-1-4-10-19)24(29)28(26-23)16-8-15-27-13-5-2-6-14-27/h1,3-4,7,9-12,17-18H,2,5-6,8,13-16H2
InChIKey
WUOHPCJYIZKQJQ-UHFFFAOYSA-N
Compound name
6-(3-chlorophenyl)-4-phenyl-2-(3-piperidin-1-ylpropyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.17645 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18373 201.7
[M+Na]+ 430.16567 219.9
[M+NH4]+ 425.21027 209.7
[M+K]+ 446.13961 208.4
[M-H]- 406.16917 209.5
[M+Na-2H]- 428.15112 213.2
[M]+ 407.17590 207.1
[M]- 407.17700 207.1
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.