CID 3088559

4-pyridazinecarboxylic acid, 3-((2-(4-morpholinyl)ethyl)amino)-6-phenyl-, ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C19H24N4O3
SMILES
CCOC(=O)C1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C19H24N4O3/c1-2-26-19(24)16-14-17(15-6-4-3-5-7-15)21-22-18(16)20-8-9-23-10-12-25-13-11-23/h3-7,14H,2,8-13H2,1H3,(H,20,22)
InChIKey
UUEACXTZIFOPHV-UHFFFAOYSA-N
Compound name
ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

356.18484 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19212 186.7
[M+Na]+ 379.17406 190.1
[M-H]- 355.17756 191.6
[M+NH4]+ 374.21866 192.6
[M+K]+ 395.14800 186.8
[M+H-H2O]+ 339.18210 174.1
[M+HCOO]- 401.18304 202.1
[M+CH3COO]- 415.19869 215.1
[M+Na-2H]- 377.15951 190.2
[M]+ 356.18429 185.4
[M]- 356.18539 185.4
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