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]+ 340.14446 183.4
[M+Na]+ 362.12640 191.8
[M-H]- 338.12990 191.7
[M+NH4]+ 357.17100 191.4
[M+K]+ 378.10034 183.5
[M+H-H2O]+ 322.13444 170.0
[M+HCOO]- 384.13538 203.1
[M+CH3COO]- 398.15103 193.0
[M+Na-2H]- 360.11185 189.5
[M]+ 339.13663 182.4
[M]- 339.13773 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.