CID 122523

29728-52-7

Structural Information

Molecular Formula
C26H36N2O4
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(C2=CC(=CC=C2)OC)C(C)CN3CCCC3
InChI
InChI=1S/C26H36N2O4/c1-4-5-17-31-23-11-13-24(14-12-23)32-20-26(29)28(21(2)19-27-15-6-7-16-27)22-9-8-10-25(18-22)30-3/h8-14,18,21H,4-7,15-17,19-20H2,1-3H3
InChIKey
OIZSMBMFUNRBEU-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-(3-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)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 211.1
[M+Na]+ 463.256738 211.5
[M-H]- 439.260244 218.9
[M+NH4]+ 458.301343 219.9
[M+K]+ 479.230678 209.1
[M+H-H2O]+ 423.264780 199.8
[M+HCOO]- 485.265721 229.6
[M+CH3COO]- 499.281371 235.4
[M+Na-2H]- 461.242186 206.8
[M]+ 440.26697142 214.8
[M]- 440.26806858 214.8
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.