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]+ 350.24785 188.4
[M+Na]+ 372.22979 189.6
[M-H]- 348.23329 194.2
[M+NH4]+ 367.27439 201.0
[M+K]+ 388.20373 183.6
[M+H-H2O]+ 332.23783 178.7
[M+HCOO]- 394.23877 200.7
[M+CH3COO]- 408.25442 195.7
[M+Na-2H]- 370.21524 185.2
[M]+ 349.24002 181.5
[M]- 349.24112 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.