CID 3065728

Cyclohexanol, 2-(4-(3,4-dimethylphenyl)-1-piperazinyl)-6-phenoxy-, dihydrochloride, (1-alpha,2-beta,6-beta)-

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)[C@H]3CCC[C@H]([C@@H]3O)OC4=CC=CC=C4)C
InChI
InChI=1S/C24H32N2O2/c1-18-11-12-20(17-19(18)2)25-13-15-26(16-14-25)22-9-6-10-23(24(22)27)28-21-7-4-3-5-8-21/h3-5,7-8,11-12,17,22-24,27H,6,9-10,13-16H2,1-2H3/t22-,23+,24+/m0/s1
InChIKey
DREFXEDBAZPTNK-RBZQAINGSA-N
Compound name
(1R,2S,6R)-2-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.253646 197.6
[M+Na]+ 403.235588 200.0
[M-H]- 379.239094 204.3
[M+NH4]+ 398.280193 204.9
[M+K]+ 419.209528 193.8
[M+H-H2O]+ 363.243630 185.1
[M+HCOO]- 425.244571 208.4
[M+CH3COO]- 439.260221 204.0
[M+Na-2H]- 401.221036 194.8
[M]+ 380.24582142 189.8
[M]- 380.24691858 189.8
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.