CID 465668

2-[(4-chloro-2-benzoyl)phenoxy]-n-[4-(dimethylamino)ethoxy]phenylacetamide

Structural Information

Molecular Formula
C25H25ClN2O4
SMILES
CN(C)CCOC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H25ClN2O4/c1-28(2)14-15-31-21-11-9-20(10-12-21)27-24(29)17-32-23-13-8-19(26)16-22(23)25(30)18-6-4-3-5-7-18/h3-13,16H,14-15,17H2,1-2H3,(H,27,29)
InChIKey
KKQAKPMWYKIUCU-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-chlorophenoxy)-N-[4-[2-(dimethylamino)ethoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.1503 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.15758 209.1
[M+Na]+ 475.13952 213.3
[M-H]- 451.14302 219.2
[M+NH4]+ 470.18412 217.8
[M+K]+ 491.11346 209.0
[M+H-H2O]+ 435.14756 198.5
[M+HCOO]- 497.14850 228.0
[M+CH3COO]- 511.16415 238.6
[M+Na-2H]- 473.12497 209.1
[M]+ 452.14975 215.7
[M]- 452.15085 215.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.