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]+ 314.21148 176.8
[M+Na]+ 336.19342 181.8
[M-H]- 312.19692 184.9
[M+NH4]+ 331.23802 192.0
[M+K]+ 352.16736 178.8
[M+H-H2O]+ 296.20146 167.7
[M+HCOO]- 358.20240 195.2
[M+CH3COO]- 372.21805 205.1
[M+Na-2H]- 334.17887 178.5
[M]+ 313.20365 176.8
[M]- 313.20475 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.