CID 33904

2-(p-butoxyphenoxy)-n-(2-(diethylamino)ethyl)-m-acetophenetidide hydrochloride

Structural Information

Molecular Formula
C26H38N2O4
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(CCN(CC)CC)C2=CC(=CC=C2)OCC
InChI
InChI=1S/C26H38N2O4/c1-5-9-19-31-23-13-15-24(16-14-23)32-21-26(29)28(18-17-27(6-2)7-3)22-11-10-12-25(20-22)30-8-4/h10-16,20H,5-9,17-19,21H2,1-4H3
InChIKey
TWYJORXIPJQRTI-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-(3-ethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.28317 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.29045 214.8
[M+Na]+ 465.27239 215.9
[M-H]- 441.27589 222.2
[M+NH4]+ 460.31699 224.1
[M+K]+ 481.24633 214.6
[M+H-H2O]+ 425.28043 203.4
[M+HCOO]- 487.28137 237.9
[M+CH3COO]- 501.29702 243.9
[M+Na-2H]- 463.25784 213.1
[M]+ 442.28262 224.0
[M]- 442.28372 224.0
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

patents stripe