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]+ 383.23293 195.4
[M+Na]+ 405.21487 197.0
[M-H]- 381.21837 201.8
[M+NH4]+ 400.25947 202.1
[M+K]+ 421.18881 191.7
[M+H-H2O]+ 365.22291 182.6
[M+HCOO]- 427.22385 206.6
[M+CH3COO]- 441.23950 201.6
[M+Na-2H]- 403.20032 193.9
[M]+ 382.22510 188.2
[M]- 382.22620 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.