CID 13526630

Brn 5635103

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CC(CN(C)C1=NC2=CC(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC)O
InChI
InChI=1S/C22H22N4O2/c1-14(27)13-26(2)22-18-7-5-4-6-17(18)21-20(23-22)12-19(24-25-21)15-8-10-16(28-3)11-9-15/h4-12,14,27H,13H2,1-3H3
InChIKey
PDVUVVRSLAJFCO-UHFFFAOYSA-N
Compound name
1-[[3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-yl]-methylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

374.1743 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.181576 191.8
[M+Na]+ 397.163518 200.0
[M-H]- 373.167024 196.4
[M+NH4]+ 392.208123 201.0
[M+K]+ 413.137458 194.3
[M+H-H2O]+ 357.171560 179.8
[M+HCOO]- 419.172501 209.1
[M+CH3COO]- 433.188151 200.8
[M+Na-2H]- 395.148966 198.3
[M]+ 374.17375142 196.0
[M]- 374.17484858 196.0
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