CID 13526627

Brn 5609401

Structural Information

Molecular Formula
C21H18N4
SMILES
C1CCN(C1)C2=NC3=CC(=NN=C3C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C21H18N4/c1-2-8-15(9-3-1)18-14-19-20(24-23-18)16-10-4-5-11-17(16)21(22-19)25-12-6-7-13-25/h1-5,8-11,14H,6-7,12-13H2
InChIKey
FRXHUKCFBXGFBN-UHFFFAOYSA-N
Compound name
3-phenyl-6-pyrrolidin-1-ylpyridazino[4,3-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

326.15314 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.16042 178.8
[M+Na]+ 349.14236 197.4
[M+NH4]+ 344.18696 188.2
[M+K]+ 365.11630 188.6
[M-H]- 325.14586 185.5
[M+Na-2H]- 347.12781 189.8
[M]+ 326.15259 183.7
[M]- 326.15369 183.7
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