CID 211529

3(2h)-pyridazinone, 4,6-bis(p-methoxyphenyl)-2-(3-pyridylmethyl)-

Structural Information

Molecular Formula
C24H21N3O3
SMILES
COC1=CC=C(C=C1)C2=CC(=NN(C2=O)CC3=CC=NC=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H21N3O3/c1-29-20-7-3-18(4-8-20)22-15-23(19-5-9-21(30-2)10-6-19)26-27(24(22)28)16-17-11-13-25-14-12-17/h3-15H,16H2,1-2H3
InChIKey
FBNOBLTUJJJLTM-UHFFFAOYSA-N
Compound name
4,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 198.7
[M+Na]+ 422.14752 218.0
[M+NH4]+ 417.19212 205.3
[M+K]+ 438.12146 208.2
[M-H]- 398.15102 206.2
[M+Na-2H]- 420.13297 211.6
[M]+ 399.15775 203.9
[M]- 399.15885 203.9
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.