CID 13526635

96825-92-2

Structural Information

Molecular Formula
C22H20N4O2
SMILES
COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=NC3=C2)N5CCOCC5
InChI
InChI=1S/C22H20N4O2/c1-27-16-8-6-15(7-9-16)19-14-20-21(25-24-19)17-4-2-3-5-18(17)22(23-20)26-10-12-28-13-11-26/h2-9,14H,10-13H2,1H3
InChIKey
ZXUKIAAIZXWCNU-UHFFFAOYSA-N
Compound name
4-[3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

372.15863 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16591 191.5
[M+Na]+ 395.14785 210.8
[M+NH4]+ 390.19245 199.6
[M+K]+ 411.12179 200.9
[M-H]- 371.15135 199.3
[M+Na-2H]- 393.13330 201.4
[M]+ 372.15808 196.8
[M]- 372.15918 196.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe