CID 117987

27468-56-0

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]+ 441.274796 210.5
[M+Na]+ 463.256738 210.3
[M-H]- 439.260244 217.4
[M+NH4]+ 458.301343 217.3
[M+K]+ 479.230678 207.4
[M+H-H2O]+ 423.264780 197.9
[M+HCOO]- 485.265721 227.6
[M+CH3COO]- 499.281371 235.2
[M+Na-2H]- 461.242186 208.9
[M]+ 440.26697142 212.4
[M]- 440.26806858 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.