CID 13526634

96825-91-1

Structural Information

Molecular Formula
C23H22N4O
SMILES
COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=NC3=C2)N5CCCCC5
InChI
InChI=1S/C23H22N4O/c1-28-17-11-9-16(10-12-17)20-15-21-22(26-25-20)18-7-3-4-8-19(18)23(24-21)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChIKey
FODGRHOLEFBWMW-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-6-piperidin-1-ylpyridazino[4,3-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

370.17935 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18663 193.2
[M+Na]+ 393.16857 200.9
[M-H]- 369.17207 198.2
[M+NH4]+ 388.21317 200.7
[M+K]+ 409.14251 192.4
[M+H-H2O]+ 353.17661 178.7
[M+HCOO]- 415.17755 206.2
[M+CH3COO]- 429.19320 200.8
[M+Na-2H]- 391.15402 199.3
[M]+ 370.17880 191.2
[M]- 370.17990 191.2
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