CID 13526626

Brn 5616358

Structural Information

Molecular Formula
C21H20N4O
SMILES
CC(CN(C)C1=NC2=CC(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4)O
InChI
InChI=1S/C21H20N4O/c1-14(26)13-25(2)21-17-11-7-6-10-16(17)20-19(22-21)12-18(23-24-20)15-8-4-3-5-9-15/h3-12,14,26H,13H2,1-2H3
InChIKey
OKKPPAJEVLEIKD-UHFFFAOYSA-N
Compound name
1-[methyl-(3-phenylpyridazino[4,3-c]isoquinolin-6-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

344.1637 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17098 182.7
[M+Na]+ 367.15292 200.0
[M+NH4]+ 362.19752 190.9
[M+K]+ 383.12686 191.1
[M-H]- 343.15642 188.2
[M+Na-2H]- 365.13837 192.6
[M]+ 344.16315 187.0
[M]- 344.16425 187.0
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