CID 446129

1-[2-hydroxy-3-(4-cyclohexyl-phenoxy)-propyl]-4-(2-pyridyl)-piperazine

Structural Information

Molecular Formula
C24H33N3O2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)OC[C@H](CN3CCN(CC3)C4=CC=CC=N4)O
InChI
InChI=1S/C24H33N3O2/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-13-25-24)19-29-23-11-9-21(10-12-23)20-6-2-1-3-7-20/h4-5,8-13,20,22,28H,1-3,6-7,14-19H2/t22-/m0/s1
InChIKey
BZJHCQBNFUNZPJ-QFIPXVFZSA-N
Compound name
(2S)-1-(4-cyclohexylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.25726 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.26454 198.9
[M+Na]+ 418.24648 198.0
[M-H]- 394.24998 202.9
[M+NH4]+ 413.29108 203.0
[M+K]+ 434.22042 191.9
[M+H-H2O]+ 378.25452 185.0
[M+HCOO]- 440.25546 207.3
[M+CH3COO]- 454.27111 203.3
[M+Na-2H]- 416.23193 197.4
[M]+ 395.25671 189.7
[M]- 395.25781 189.7
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.