CID 6410856

N-(6-(4-chlorophenyl)-4-phenyl-3-pyridazinyl)-4-morpholineethanamine

Structural Information

Molecular Formula
C22H23ClN4O
SMILES
C1COCCN1CCNC2=NN=C(C=C2C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H23ClN4O/c23-19-8-6-18(7-9-19)21-16-20(17-4-2-1-3-5-17)22(26-25-21)24-10-11-27-12-14-28-15-13-27/h1-9,16H,10-15H2,(H,24,26)
InChIKey
AMLXUEIERYJZBW-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-phenylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.15604 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16332 196.5
[M+Na]+ 417.14526 201.6
[M-H]- 393.14876 203.8
[M+NH4]+ 412.18986 201.4
[M+K]+ 433.11920 194.3
[M+H-H2O]+ 377.15330 182.6
[M+HCOO]- 439.15424 207.4
[M+CH3COO]- 453.16989 203.6
[M+Na-2H]- 415.13071 200.1
[M]+ 394.15549 194.5
[M]- 394.15659 194.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.