CID 16076230

2-[(3r)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-piperidyl]-n-methyl-2,2-diphenyl-acetamide

Structural Information

Molecular Formula
C30H34N2O2
SMILES
CNC(=O)C([C@H]1CCCN(C1)CCC2=CC3=C(C=C2)OCC3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H34N2O2/c1-31-29(33)30(25-9-4-2-5-10-25,26-11-6-3-7-12-26)27-13-8-18-32(22-27)19-16-23-14-15-28-24(21-23)17-20-34-28/h2-7,9-12,14-15,21,27H,8,13,16-20,22H2,1H3,(H,31,33)/t27-/m0/s1
InChIKey
LEMWGRDGVIUXKU-MHZLTWQESA-N
Compound name
2-[(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methyl-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.26202 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.26930 211.9
[M+Na]+ 477.25124 212.2
[M-H]- 453.25474 222.2
[M+NH4]+ 472.29584 218.5
[M+K]+ 493.22518 206.7
[M+H-H2O]+ 437.25928 200.3
[M+HCOO]- 499.26022 224.6
[M+CH3COO]- 513.27587 217.8
[M+Na-2H]- 475.23669 211.7
[M]+ 454.26147 206.7
[M]- 454.26257 206.7
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.