CID 6410815

4-morpholineethanamine, n-(4-((4-chlorophenyl)methyl)-6-phenyl-3-pyridazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H25ClN4O
SMILES
C1COCCN1CCNC2=NN=C(C=C2CC3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H25ClN4O/c24-21-8-6-18(7-9-21)16-20-17-22(19-4-2-1-3-5-19)26-27-23(20)25-10-11-28-12-14-29-15-13-28/h1-9,17H,10-16H2,(H,25,27)
InChIKey
RXJAPOWGYNEAJL-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.1717 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.17898 200.7
[M+Na]+ 431.16092 205.3
[M-H]- 407.16442 207.8
[M+NH4]+ 426.20552 205.0
[M+K]+ 447.13486 197.9
[M+H-H2O]+ 391.16896 186.6
[M+HCOO]- 453.16990 211.3
[M+CH3COO]- 467.18555 207.4
[M+Na-2H]- 429.14637 203.8
[M]+ 408.17115 199.0
[M]- 408.17225 199.0
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

No patent data available for this compound.