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]+ 381.25365 197.6
[M+Na]+ 403.23559 200.0
[M-H]- 379.23909 204.3
[M+NH4]+ 398.28019 204.9
[M+K]+ 419.20953 193.8
[M+H-H2O]+ 363.24363 185.1
[M+HCOO]- 425.24457 208.4
[M+CH3COO]- 439.26022 204.0
[M+Na-2H]- 401.22104 194.8
[M]+ 380.24582 189.8
[M]- 380.24692 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.