CID 218051

4-morpholineethanamine, n-(4-ethyl-6-phenyl-3-pyridazinyl)-, dihydrochloride, dihydrate

Structural Information

Molecular Formula
C18H24N4O
SMILES
CCC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H24N4O/c1-2-15-14-17(16-6-4-3-5-7-16)20-21-18(15)19-8-9-22-10-12-23-13-11-22/h3-7,14H,2,8-13H2,1H3,(H,19,21)
InChIKey
OJRBCZYVLIYUNO-UHFFFAOYSA-N
Compound name
4-ethyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.195 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.20228 177.5
[M+Na]+ 335.18422 181.7
[M-H]- 311.18772 182.3
[M+NH4]+ 330.22882 185.5
[M+K]+ 351.15816 177.2
[M+H-H2O]+ 295.19226 165.2
[M+HCOO]- 357.19320 193.6
[M+CH3COO]- 371.20885 185.9
[M+Na-2H]- 333.16967 182.4
[M]+ 312.19445 174.4
[M]- 312.19555 174.4
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

No patent data available for this compound.