CID 3056547

1-(2-(2-furfuryl-2-naphthylethoxy)ethyl)piperidine oxalate

Structural Information

Molecular Formula
C24H29NO2
SMILES
C1CCN(CC1)CCOCC(CC2=CC=CO2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H29NO2/c1-4-13-25(14-5-1)15-17-26-19-21(18-22-10-7-16-27-22)24-12-6-9-20-8-2-3-11-23(20)24/h2-3,6-12,16,21H,1,4-5,13-15,17-19H2
InChIKey
MFPDMHXPRATVKG-UHFFFAOYSA-N
Compound name
1-[2-[3-(furan-2-yl)-2-naphthalen-1-ylpropoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.21982 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22710 189.6
[M+Na]+ 386.20904 192.7
[M-H]- 362.21254 197.6
[M+NH4]+ 381.25364 200.9
[M+K]+ 402.18298 188.2
[M+H-H2O]+ 346.21708 179.1
[M+HCOO]- 408.21802 206.5
[M+CH3COO]- 422.23367 198.2
[M+Na-2H]- 384.19449 191.1
[M]+ 363.21927 189.4
[M]- 363.22037 189.4
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.