CID 3065724

108661-81-0

Structural Information

Molecular Formula
C23H30N2O3
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)[C@H]3CCC[C@H]([C@@H]3O)OC4=CC=CC=C4
InChI
InChI=1S/C23H30N2O3/c1-27-20-10-5-7-18(17-20)24-13-15-25(16-14-24)21-11-6-12-22(23(21)26)28-19-8-3-2-4-9-19/h2-5,7-10,17,21-23,26H,6,11-16H2,1H3/t21-,22+,23+/m0/s1
InChIKey
HPEPZLBLXSPXLO-YTFSRNRJSA-N
Compound name
(1R,2S,6R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.22565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.232926 195.4
[M+Na]+ 405.214868 197.0
[M-H]- 381.218374 201.8
[M+NH4]+ 400.259473 202.1
[M+K]+ 421.188808 191.7
[M+H-H2O]+ 365.222910 182.6
[M+HCOO]- 427.223851 206.6
[M+CH3COO]- 441.239501 201.6
[M+Na-2H]- 403.200316 193.9
[M]+ 382.22510142 188.2
[M]- 382.22619858 188.2
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.