CID 3065722

Cyclohexanol, 2-phenoxy-6-(4-phenyl-1-piperazinyl)-, dihydrochloride, (1-alpha,2-beta,6-beta)-

Structural Information

Molecular Formula
C22H28N2O2
SMILES
C1C[C@H]([C@@H]([C@H](C1)OC2=CC=CC=C2)O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H28N2O2/c25-22-20(12-7-13-21(22)26-19-10-5-2-6-11-19)24-16-14-23(15-17-24)18-8-3-1-4-9-18/h1-6,8-11,20-22,25H,7,12-17H2/t20-,21+,22+/m1/s1
InChIKey
GTBHRECRCAKXOA-FSSWDIPSSA-N
Compound name
(1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 189.9
[M+Na]+ 375.20432 203.7
[M+NH4]+ 370.24892 198.0
[M+K]+ 391.17826 194.7
[M-H]- 351.20782 197.2
[M+Na-2H]- 373.18977 199.1
[M]+ 352.21455 193.9
[M]- 352.21565 193.9
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.