CID 214071

1-piperidinepropanol, alpha,alpha-diphenyl-beta-((isopentyloxy)methyl)-, hydrochloride

Structural Information

Molecular Formula
C26H37NO2
SMILES
CC(C)CCOCC(CN1CCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C26H37NO2/c1-22(2)16-19-29-21-25(20-27-17-10-5-11-18-27)26(28,23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-4,6-9,12-15,22,25,28H,5,10-11,16-21H2,1-2H3
InChIKey
ISOCOBGBTUPHBJ-UHFFFAOYSA-N
Compound name
2-(3-methylbutoxymethyl)-1,1-diphenyl-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.28244 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.28972 201.4
[M+Na]+ 418.27166 199.8
[M-H]- 394.27516 205.2
[M+NH4]+ 413.31626 208.8
[M+K]+ 434.24560 194.9
[M+H-H2O]+ 378.27970 190.5
[M+HCOO]- 440.28064 212.4
[M+CH3COO]- 454.29629 220.8
[M+Na-2H]- 416.25711 200.6
[M]+ 395.28189 197.1
[M]- 395.28299 197.1
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.