CID 6410819

N-(4-(2-naphthalenylmethyl)-6-phenyl-3-pyridazinyl)-4-morpholineethanamine dihydrochloride

Structural Information

Molecular Formula
C27H28N4O
SMILES
C1COCCN1CCNC2=NN=C(C=C2CC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5
InChI
InChI=1S/C27H28N4O/c1-2-7-23(8-3-1)26-20-25(19-21-10-11-22-6-4-5-9-24(22)18-21)27(30-29-26)28-12-13-31-14-16-32-17-15-31/h1-11,18,20H,12-17,19H2,(H,28,30)
InChIKey
FQTIFUAYWZPUQW-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-4-(naphthalen-2-ylmethyl)-6-phenylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

424.22632 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.23360 205.7
[M+Na]+ 447.21554 209.1
[M-H]- 423.21904 213.4
[M+NH4]+ 442.26014 208.9
[M+K]+ 463.18948 201.5
[M+H-H2O]+ 407.22358 190.4
[M+HCOO]- 469.22452 219.0
[M+CH3COO]- 483.24017 211.5
[M+Na-2H]- 445.20099 210.1
[M]+ 424.22577 201.3
[M]- 424.22687 201.3
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

patents stripe