CID 3064308

Brn 0299589

Structural Information

Molecular Formula
C23H31NO
SMILES
CCC1CCN(CC1)CCCC2=CC=C(C=C2)COC3=CC=CC=C3
InChI
InChI=1S/C23H31NO/c1-2-20-14-17-24(18-15-20)16-6-7-21-10-12-22(13-11-21)19-25-23-8-4-3-5-9-23/h3-5,8-13,20H,2,6-7,14-19H2,1H3
InChIKey
FHZIEVMWIGAKJZ-UHFFFAOYSA-N
Compound name
4-ethyl-1-[3-[4-(phenoxymethyl)phenyl]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 186.2
[M+Na]+ 360.22979 188.7
[M-H]- 336.23329 192.3
[M+NH4]+ 355.27439 197.5
[M+K]+ 376.20373 182.9
[M+H-H2O]+ 320.23783 175.1
[M+HCOO]- 382.23877 203.2
[M+CH3COO]- 396.25442 212.6
[M+Na-2H]- 358.21524 187.2
[M]+ 337.24002 183.8
[M]- 337.24112 183.8
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.