CID 6410827

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

Structural Information

Molecular Formula
C17H21FN4O
SMILES
CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H21FN4O/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
JOYIIKAREQAWPB-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.16995 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17723 177.4
[M+Na]+ 339.15917 183.1
[M-H]- 315.16267 181.4
[M+NH4]+ 334.20377 185.5
[M+K]+ 355.13311 178.3
[M+H-H2O]+ 299.16721 164.5
[M+HCOO]- 361.16815 192.8
[M+CH3COO]- 375.18380 185.9
[M+Na-2H]- 337.14462 181.3
[M]+ 316.16940 173.4
[M]- 316.17050 173.4
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.