CID 3065719

4-piperidinol, 1-(2-hydroxy-3-phenoxycyclohexyl)-4-phenyl-, (1-alpha,2-beta,3-alpha)-

Structural Information

Molecular Formula
C23H29NO3
SMILES
C1C[C@@H]([C@H]([C@@H](C1)OC2=CC=CC=C2)O)N3CCC(CC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C23H29NO3/c25-22-20(12-7-13-21(22)27-19-10-5-2-6-11-19)24-16-14-23(26,15-17-24)18-8-3-1-4-9-18/h1-6,8-11,20-22,25-26H,7,12-17H2/t20-,21+,22+/m0/s1
InChIKey
WEORSIXKJFUJDW-BHDDXSALSA-N
Compound name
1-[(1S,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 191.7
[M+Na]+ 390.203968 193.3
[M-H]- 366.207474 198.3
[M+NH4]+ 385.248573 201.7
[M+K]+ 406.177908 187.8
[M+H-H2O]+ 350.212010 180.4
[M+HCOO]- 412.212951 203.0
[M+CH3COO]- 426.228601 198.2
[M+Na-2H]- 388.189416 191.6
[M]+ 367.21420142 182.3
[M]- 367.21529858 182.3
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.