CID 117399

27468-58-2

Structural Information

Molecular Formula
C27H38N2O4
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(CCC2CCCCN2C)C3=CC(=CC=C3)OC
InChI
InChI=1S/C27H38N2O4/c1-4-5-19-32-24-12-14-25(15-13-24)33-21-27(30)29(23-10-8-11-26(20-23)31-3)18-16-22-9-6-7-17-28(22)2/h8,10-15,20,22H,4-7,9,16-19,21H2,1-3H3
InChIKey
LNQQIQDSFIZODD-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.28317 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.29045 215.4
[M+Na]+ 477.27239 226.3
[M+NH4]+ 472.31699 220.9
[M+K]+ 493.24633 218.3
[M-H]- 453.27589 220.6
[M+Na-2H]- 475.25784 221.7
[M]+ 454.28262 218.2
[M]- 454.28372 218.2
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.