CID 3064346

102071-58-9

Structural Information

Molecular Formula
C24H31NO
SMILES
CC1CN(CCC1(C2=CC=CC=C2)O)C3(CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H31NO/c1-20-19-25(18-17-24(20,26)22-13-7-3-8-14-22)23(15-9-4-10-16-23)21-11-5-2-6-12-21/h2-3,5-8,11-14,20,26H,4,9-10,15-19H2,1H3
InChIKey
GNAIGRYYHGTZGT-UHFFFAOYSA-N
Compound name
3-methyl-4-phenyl-1-(1-phenylcyclohexyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.24057 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.247846 190.5
[M+Na]+ 372.229788 192.6
[M-H]- 348.233294 198.3
[M+NH4]+ 367.274393 203.8
[M+K]+ 388.203728 186.6
[M+H-H2O]+ 332.237830 178.7
[M+HCOO]- 394.238771 202.7
[M+CH3COO]- 408.254421 197.6
[M+Na-2H]- 370.215236 191.4
[M]+ 349.24002142 180.3
[M]- 349.24111858 180.3
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.