CID 201079

1-(2-(3-(1-naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)piperidine phosphate (1:1)

Structural Information

Molecular Formula
C25H35NO2
SMILES
C1CCN(CC1)CCOCC(CC2CCCO2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H35NO2/c1-4-13-26(14-5-1)15-17-27-20-21(19-24-11-7-16-28-24)18-23-10-6-9-22-8-2-3-12-25(22)23/h2-3,6,8-10,12,21,24H,1,4-5,7,11,13-20H2
InChIKey
BCSJYZNYECHBQC-UHFFFAOYSA-N
Compound name
1-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.26678 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.27406 196.6
[M+Na]+ 404.25600 196.2
[M-H]- 380.25950 203.2
[M+NH4]+ 399.30060 206.9
[M+K]+ 420.22994 192.0
[M+H-H2O]+ 364.26404 185.8
[M+HCOO]- 426.26498 208.9
[M+CH3COO]- 440.28063 203.2
[M+Na-2H]- 402.24145 194.6
[M]+ 381.26623 192.4
[M]- 381.26733 192.4
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.