CID 3024404

Brn 0620658

Structural Information

Molecular Formula
C20H27NO2
SMILES
CCOC1(CCN(CC1C)CCC2=CC=CC=C2)C3=CC=CO3
InChI
InChI=1S/C20H27NO2/c1-3-23-20(19-10-7-15-22-19)12-14-21(16-17(20)2)13-11-18-8-5-4-6-9-18/h4-10,15,17H,3,11-14,16H2,1-2H3
InChIKey
INLMDDDTZIKNNI-UHFFFAOYSA-N
Compound name
4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.211476 176.8
[M+Na]+ 336.193418 181.8
[M-H]- 312.196924 184.9
[M+NH4]+ 331.238023 192.0
[M+K]+ 352.167358 178.8
[M+H-H2O]+ 296.201460 167.7
[M+HCOO]- 358.202401 195.2
[M+CH3COO]- 372.218051 205.1
[M+Na-2H]- 334.178866 178.5
[M]+ 313.20365142 176.8
[M]- 313.20474858 176.8
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.