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 215.2
[M+Na]+ 477.27239 215.5
[M-H]- 453.27589 222.4
[M+NH4]+ 472.31699 221.7
[M+K]+ 493.24633 212.5
[M+H-H2O]+ 437.28043 202.7
[M+HCOO]- 499.28137 232.0
[M+CH3COO]- 513.29702 239.4
[M+Na-2H]- 475.25784 212.4
[M]+ 454.28262 217.9
[M]- 454.28372 217.9
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.