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]+ 324.23218 183.5
[M+Na]+ 346.21412 196.9
[M+NH4]+ 341.25872 191.9
[M+K]+ 362.18806 187.8
[M-H]- 322.21762 189.3
[M+Na-2H]- 344.19957 192.8
[M]+ 323.22435 187.2
[M]- 323.22545 187.2
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.