CID 26349

N-[4-(2,6-dimethylpiperidin-1-yl)butyl]-2-phenoxy-2-phenylacetamide

Structural Information

Molecular Formula
C25H34N2O2
SMILES
CC1CCCC(N1CCCCNC(=O)C(C2=CC=CC=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C25H34N2O2/c1-20-12-11-13-21(2)27(20)19-10-9-18-26-25(28)24(22-14-5-3-6-15-22)29-23-16-7-4-8-17-23/h3-8,14-17,20-21,24H,9-13,18-19H2,1-2H3,(H,26,28)
InChIKey
DTOKETCXTCHCDD-UHFFFAOYSA-N
Compound name
N-[4-(2,6-dimethylpiperidin-1-yl)butyl]-2-phenoxy-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

304
Patents

394.26202 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.26930 200.4
[M+Na]+ 417.25124 200.8
[M-H]- 393.25474 206.3
[M+NH4]+ 412.29584 208.8
[M+K]+ 433.22518 195.8
[M+H-H2O]+ 377.25928 189.0
[M+HCOO]- 439.26022 216.2
[M+CH3COO]- 453.27587 225.9
[M+Na-2H]- 415.23669 198.8
[M]+ 394.26147 197.5
[M]- 394.26257 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe