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 192.7
[M+Na]+ 389.21996 194.6
[M-H]- 365.22346 199.1
[M+NH4]+ 384.26456 200.2
[M+K]+ 405.19390 188.4
[M+H-H2O]+ 349.22800 180.1
[M+HCOO]- 411.22894 203.8
[M+CH3COO]- 425.24459 199.1
[M+Na-2H]- 387.20541 191.1
[M]+ 366.23019 184.1
[M]- 366.23129 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.