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]+ 367.23802 194.2
[M+Na]+ 389.21996 208.2
[M+NH4]+ 384.26456 202.2
[M+K]+ 405.19390 199.2
[M-H]- 365.22346 201.6
[M+Na-2H]- 387.20541 202.9
[M]+ 366.23019 198.3
[M]- 366.23129 198.3
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.