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

4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.