CID 3048811

63998-31-2

Structural Information

Molecular Formula
C24H31NO
SMILES
CC(C(C1=CC2=C(CCC2)C=C1)O)N3CCC(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C24H31NO/c1-18(24(26)23-11-10-21-8-5-9-22(21)17-23)25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-4,6-7,10-11,17-18,20,24,26H,5,8-9,12-16H2,1H3
InChIKey
AQHDPYSEZSYGOE-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.24057 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.247846 188.4
[M+Na]+ 372.229788 189.6
[M-H]- 348.233294 194.2
[M+NH4]+ 367.274393 201.0
[M+K]+ 388.203728 183.6
[M+H-H2O]+ 332.237830 178.7
[M+HCOO]- 394.238771 200.7
[M+CH3COO]- 408.254421 195.7
[M+Na-2H]- 370.215236 185.2
[M]+ 349.24002142 181.5
[M]- 349.24111858 181.5
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.