CID 131754

1-(1-phenylcyclohexyl)-4-phenyl-4-piperidinol

Structural Information

Molecular Formula
C23H29NO
SMILES
C1CCC(CC1)(C2=CC=CC=C2)N3CCC(CC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C23H29NO/c25-23(21-12-6-2-7-13-21)16-18-24(19-17-23)22(14-8-3-9-15-22)20-10-4-1-5-11-20/h1-2,4-7,10-13,25H,3,8-9,14-19H2
InChIKey
QIFDQIWFDPDODM-UHFFFAOYSA-N
Compound name
4-phenyl-1-(1-phenylcyclohexyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

335.2249 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23218 186.6
[M+Na]+ 358.21412 188.2
[M-H]- 334.21762 194.2
[M+NH4]+ 353.25872 200.1
[M+K]+ 374.18806 182.3
[M+H-H2O]+ 318.22216 174.7
[M+HCOO]- 380.22310 199.1
[M+CH3COO]- 394.23875 193.7
[M+Na-2H]- 356.19957 188.6
[M]+ 335.22435 175.6
[M]- 335.22545 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe