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]+ 350.24785 190.5
[M+Na]+ 372.22979 192.6
[M-H]- 348.23329 198.3
[M+NH4]+ 367.27439 203.8
[M+K]+ 388.20373 186.6
[M+H-H2O]+ 332.23783 178.7
[M+HCOO]- 394.23877 202.7
[M+CH3COO]- 408.25442 197.6
[M+Na-2H]- 370.21524 191.4
[M]+ 349.24002 180.3
[M]- 349.24112 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.