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]+ 368.22203 193.3
[M+Na]+ 390.20397 206.2
[M+NH4]+ 385.24857 202.6
[M+K]+ 406.17791 195.9
[M-H]- 366.20747 200.4
[M+Na-2H]- 388.18942 203.1
[M]+ 367.21420 197.3
[M]- 367.21530 197.3
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.