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]+ 364.227096 189.6
[M+Na]+ 386.209038 192.7
[M-H]- 362.212544 197.6
[M+NH4]+ 381.253643 200.9
[M+K]+ 402.182978 188.2
[M+H-H2O]+ 346.217080 179.1
[M+HCOO]- 408.218021 206.5
[M+CH3COO]- 422.233671 198.2
[M+Na-2H]- 384.194486 191.1
[M]+ 363.21927142 189.4
[M]- 363.22036858 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.