CID 3065726

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

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[C@H]([C@@H]3O)OC4=CC=CC=C4
InChI
InChI=1S/C23H30N2O2/c1-18-10-12-19(13-11-18)24-14-16-25(17-15-24)21-8-5-9-22(23(21)26)27-20-6-3-2-4-7-20/h2-4,6-7,10-13,21-23,26H,5,8-9,14-17H2,1H3/t21-,22+,23+/m0/s1
InChIKey
AOLUZVRJNBBMDV-YTFSRNRJSA-N
Compound name
(1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 192.7
[M+Na]+ 389.219958 194.6
[M-H]- 365.223464 199.1
[M+NH4]+ 384.264563 200.2
[M+K]+ 405.193898 188.4
[M+H-H2O]+ 349.228000 180.1
[M+HCOO]- 411.228941 203.8
[M+CH3COO]- 425.244591 199.1
[M+Na-2H]- 387.205406 191.1
[M]+ 366.23019142 184.1
[M]- 366.23128858 184.1
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.