CID 13526633

Brn 5626606

Structural Information

Molecular Formula
C22H20N4O
SMILES
COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=NC3=C2)N5CCCC5
InChI
InChI=1S/C22H20N4O/c1-27-16-10-8-15(9-11-16)19-14-20-21(25-24-19)17-6-2-3-7-18(17)22(23-20)26-12-4-5-13-26/h2-3,6-11,14H,4-5,12-13H2,1H3
InChIKey
OEKRRNONKYUCFF-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazino[4,3-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

356.1637 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 187.3
[M+Na]+ 379.15292 196.5
[M-H]- 355.15642 193.5
[M+NH4]+ 374.19752 197.6
[M+K]+ 395.12686 188.5
[M+H-H2O]+ 339.16096 174.4
[M+HCOO]- 401.16190 203.3
[M+CH3COO]- 415.17755 196.5
[M+Na-2H]- 377.13837 191.6
[M]+ 356.16315 187.6
[M]- 356.16425 187.6
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