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]+ 353.222376 187.6
[M+Na]+ 375.204318 189.0
[M-H]- 351.207824 193.8
[M+NH4]+ 370.248923 195.4
[M+K]+ 391.178258 183.0
[M+H-H2O]+ 335.212360 175.0
[M+HCOO]- 397.213301 199.1
[M+CH3COO]- 411.228951 194.1
[M+Na-2H]- 373.189766 187.3
[M]+ 352.21455142 178.3
[M]- 352.21564858 178.3
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.