CID 117987

Acetamide, n-(m-anisyl)-2-(p-butoxyphenoxy)-n-(2-piperidinoethyl)-, hydrochloride

Structural Information

Molecular Formula
C26H36N2O4
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(CCN2CCCCC2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C26H36N2O4/c1-3-4-19-31-23-11-13-24(14-12-23)32-21-26(29)28(18-17-27-15-6-5-7-16-27)22-9-8-10-25(20-22)30-2/h8-14,20H,3-7,15-19,21H2,1-2H3
InChIKey
FHKUVGVIDFHBQF-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.26752 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.27480 210.5
[M+Na]+ 463.25674 210.3
[M-H]- 439.26024 217.4
[M+NH4]+ 458.30134 217.3
[M+K]+ 479.23068 207.4
[M+H-H2O]+ 423.26478 197.9
[M+HCOO]- 485.26572 227.6
[M+CH3COO]- 499.28137 235.2
[M+Na-2H]- 461.24219 208.9
[M]+ 440.26697 212.4
[M]- 440.26807 212.4
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.