CID 211558

23348-40-5

Structural Information

Molecular Formula
C23H25N3O3
SMILES
COC1=CC=CC(=C1)C2=CC(=NN(C2=O)CCN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H25N3O3/c1-28-20-9-5-8-19(16-20)21-17-22(18-6-3-2-4-7-18)24-26(23(21)27)11-10-25-12-14-29-15-13-25/h2-9,16-17H,10-15H2,1H3
InChIKey
QUZIAOVNYPZQQC-UHFFFAOYSA-N
Compound name
4-(3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 196.8
[M+Na]+ 414.17882 213.7
[M+NH4]+ 409.22342 203.3
[M+K]+ 430.15276 204.8
[M-H]- 390.18232 204.9
[M+Na-2H]- 412.16427 207.1
[M]+ 391.18905 201.6
[M]- 391.19015 201.6
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.