CID 3039712

51097-86-0

Structural Information

Molecular Formula
C22H29NO
SMILES
CCC(CCN1CCCCC1)(C2=CC=C(C=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H29NO/c1-2-22(24,15-18-23-16-7-4-8-17-23)21-13-11-20(12-14-21)19-9-5-3-6-10-19/h3,5-6,9-14,24H,2,4,7-8,15-18H2,1H3
InChIKey
HOTLAQVESOKAGZ-UHFFFAOYSA-N
Compound name
3-(4-phenylphenyl)-1-piperidin-1-ylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 181.6
[M+Na]+ 346.214118 183.7
[M-H]- 322.217624 186.6
[M+NH4]+ 341.258723 192.7
[M+K]+ 362.188058 177.8
[M+H-H2O]+ 306.222160 171.6
[M+HCOO]- 368.223101 195.9
[M+CH3COO]- 382.238751 206.5
[M+Na-2H]- 344.199566 184.3
[M]+ 323.22435142 176.3
[M]- 323.22544858 176.3
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.