CID 211537

23338-53-6

Structural Information

Molecular Formula
C23H24ClN3O3
SMILES
COC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)C3=CC=C(C=C3)Cl)CCN4CCOCC4
InChI
InChI=1S/C23H24ClN3O3/c1-29-20-8-4-18(5-9-20)22-16-21(17-2-6-19(24)7-3-17)23(28)27(25-22)11-10-26-12-14-30-15-13-26/h2-9,16H,10-15H2,1H3
InChIKey
KQYPAWZTFFPQFU-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2-morpholin-4-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1506 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15788 203.5
[M+Na]+ 448.13982 221.6
[M+NH4]+ 443.18442 210.3
[M+K]+ 464.11376 211.9
[M-H]- 424.14332 211.8
[M+Na-2H]- 446.12527 213.5
[M]+ 425.15005 208.9
[M]- 425.15115 208.9
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.