CID 33883

27468-63-9

Structural Information

Molecular Formula
C26H36N2O4
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(C2=CC=C(C=C2)OC)C(C)N3CCCCC3
InChI
InChI=1S/C26H36N2O4/c1-4-5-19-31-24-13-15-25(16-14-24)32-20-26(29)28(21(2)27-17-7-6-8-18-27)22-9-11-23(30-3)12-10-22/h9-16,21H,4-8,17-20H2,1-3H3
InChIKey
IIVDJEBWRGPHEP-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-(4-methoxyphenyl)-N-(1-piperidin-1-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.26752 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.27480 210.4
[M+Na]+ 463.25674 209.9
[M-H]- 439.26024 217.4
[M+NH4]+ 458.30134 217.1
[M+K]+ 479.23068 207.6
[M+H-H2O]+ 423.26478 198.1
[M+HCOO]- 485.26572 226.6
[M+CH3COO]- 499.28137 236.1
[M+Na-2H]- 461.24219 207.8
[M]+ 440.26697 211.8
[M]- 440.26807 211.8
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.