CID 3088563

3-pyridazinamine, 4-methyl-6-phenyl-n-(2-(1-piperidinyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H24N4
SMILES
CC1=CC(=NN=C1NCCN2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H24N4/c1-15-14-17(16-8-4-2-5-9-16)20-21-18(15)19-10-13-22-11-6-3-7-12-22/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21)
InChIKey
QYPIWAWBCRJQPR-UHFFFAOYSA-N
Compound name
4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

296.2001 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20738 173.2
[M+Na]+ 319.18932 177.2
[M-H]- 295.19282 177.3
[M+NH4]+ 314.23392 183.2
[M+K]+ 335.16326 171.2
[M+H-H2O]+ 279.19736 161.1
[M+HCOO]- 341.19830 190.0
[M+CH3COO]- 355.21395 181.6
[M+Na-2H]- 317.17477 177.7
[M]+ 296.19955 168.1
[M]- 296.20065 168.1
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