CID 211541

3(2h)-pyridazinone, 4,6-diphenyl-2-(3-pyridylmethyl)-

Structural Information

Molecular Formula
C22H17N3O
SMILES
C1=CC=C(C=C1)C2=CC(=NN(C2=O)CC3=CN=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H17N3O/c26-22-20(18-9-3-1-4-10-18)14-21(19-11-5-2-6-12-19)24-25(22)16-17-8-7-13-23-15-17/h1-15H,16H2
InChIKey
IKOLBNIEZHDJPC-UHFFFAOYSA-N
Compound name
4,6-diphenyl-2-(pyridin-3-ylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.13718 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.144456 183.4
[M+Na]+ 362.126398 191.8
[M-H]- 338.129904 191.7
[M+NH4]+ 357.171003 191.4
[M+K]+ 378.100338 183.5
[M+H-H2O]+ 322.134440 170.0
[M+HCOO]- 384.135381 203.1
[M+CH3COO]- 398.151031 193.0
[M+Na-2H]- 360.111846 189.5
[M]+ 339.13663142 182.4
[M]- 339.13772858 182.4
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.