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]+ 441.27480 211.1
[M+Na]+ 463.25674 211.5
[M-H]- 439.26024 218.9
[M+NH4]+ 458.30134 219.9
[M+K]+ 479.23068 209.1
[M+H-H2O]+ 423.26478 199.8
[M+HCOO]- 485.26572 229.6
[M+CH3COO]- 499.28137 235.4
[M+Na-2H]- 461.24219 206.8
[M]+ 440.26697 214.8
[M]- 440.26807 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.