CID 13526628

Pyridazino(4,3-c)isoquinoline, 6-morpholino-3-phenyl-

Structural Information

Molecular Formula
C21H18N4O
SMILES
C1COCCN1C2=NC3=CC(=NN=C3C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C21H18N4O/c1-2-6-15(7-3-1)18-14-19-20(24-23-18)16-8-4-5-9-17(16)21(22-19)25-10-12-26-13-11-25/h1-9,14H,10-13H2
InChIKey
JRPLEARVGIUFIY-UHFFFAOYSA-N
Compound name
4-(3-phenylpyridazino[4,3-c]isoquinolin-6-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

342.14807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15535 183.3
[M+Na]+ 365.13729 202.9
[M+NH4]+ 360.18189 192.2
[M+K]+ 381.11123 192.6
[M-H]- 341.14079 191.5
[M+Na-2H]- 363.12274 194.1
[M]+ 342.14752 188.8
[M]- 342.14862 188.8
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