CID 6410821

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

Structural Information

Molecular Formula
C17H21ClN4O
SMILES
CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H21ClN4O/c1-13-12-16(14-2-4-15(18)5-3-14)20-21-17(13)19-6-7-22-8-10-23-11-9-22/h2-5,12H,6-11H2,1H3,(H,19,21)
InChIKey
GPACEISPPBYITD-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.14038 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14766 180.7
[M+Na]+ 355.12960 186.8
[M-H]- 331.13310 185.6
[M+NH4]+ 350.17420 189.0
[M+K]+ 371.10354 181.2
[M+H-H2O]+ 315.13764 168.9
[M+HCOO]- 377.13858 192.3
[M+CH3COO]- 391.15423 189.3
[M+Na-2H]- 353.11505 184.6
[M]+ 332.13983 179.7
[M]- 332.14093 179.7
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.