CID 13526629

Brn 5603523

Structural Information

Molecular Formula
C20H18N4O
SMILES
CN(C)C1=NC2=CC(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H18N4O/c1-24(2)20-16-7-5-4-6-15(16)19-18(21-20)12-17(22-23-19)13-8-10-14(25-3)11-9-13/h4-12H,1-3H3
InChIKey
GEXSCHFODZRCDT-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-N,N-dimethylpyridazino[4,3-c]isoquinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

330.14807 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15535 180.5
[M+Na]+ 353.13729 190.8
[M-H]- 329.14079 186.8
[M+NH4]+ 348.18189 192.5
[M+K]+ 369.11123 184.9
[M+H-H2O]+ 313.14533 168.5
[M+HCOO]- 375.14627 200.8
[M+CH3COO]- 389.16192 191.3
[M+Na-2H]- 351.12274 189.3
[M]+ 330.14752 185.0
[M]- 330.14862 185.0
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