CID 218047

N-(4-methyl-6-(2-naphthalenyl)-3-pyridazinyl)-4-morpholineethanamine dihydrochloride

Structural Information

Molecular Formula
C21H24N4O
SMILES
CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C21H24N4O/c1-16-14-20(19-7-6-17-4-2-3-5-18(17)15-19)23-24-21(16)22-8-9-25-10-12-26-13-11-25/h2-7,14-15H,8-13H2,1H3,(H,22,24)
InChIKey
HKNVQEWOUZPDHC-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-morpholin-4-ylethyl)-6-naphthalen-2-ylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.195 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20228 186.4
[M+Na]+ 371.18422 191.5
[M-H]- 347.18772 192.1
[M+NH4]+ 366.22882 193.8
[M+K]+ 387.15816 185.7
[M+H-H2O]+ 331.19226 173.4
[M+HCOO]- 393.19320 201.1
[M+CH3COO]- 407.20885 194.3
[M+Na-2H]- 369.16967 191.9
[M]+ 348.19445 183.3
[M]- 348.19555 183.3
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.