CID 13526625

Brn 5596235

Structural Information

Molecular Formula
C20H18N4
SMILES
CCN(C)C1=NC2=CC(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C20H18N4/c1-3-24(2)20-16-12-8-7-11-15(16)19-18(21-20)13-17(22-23-19)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3
InChIKey
CXPLOPJUAUESAD-UHFFFAOYSA-N
Compound name
N-ethyl-N-methyl-3-phenylpyridazino[4,3-c]isoquinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

314.15314 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16042 176.3
[M+Na]+ 337.14236 185.9
[M-H]- 313.14586 182.1
[M+NH4]+ 332.18696 188.7
[M+K]+ 353.11630 179.1
[M+H-H2O]+ 297.15040 164.3
[M+HCOO]- 359.15134 196.5
[M+CH3COO]- 373.16699 186.9
[M+Na-2H]- 335.12781 185.9
[M]+ 314.15259 179.0
[M]- 314.15369 179.0
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