CID 465665

Chembl42823

Structural Information

Molecular Formula
C27H30N2O4
SMILES
CCN(CC)CCOC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H30N2O4/c1-3-29(4-2)18-19-32-23-16-14-22(15-17-23)28-26(30)20-33-25-13-9-8-12-24(25)27(31)21-10-6-5-7-11-21/h5-17H,3-4,18-20H2,1-2H3,(H,28,30)
InChIKey
AVPZMKRJRCAUJT-UHFFFAOYSA-N
Compound name
2-(2-benzoylphenoxy)-N-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.22055 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.227826 211.4
[M+Na]+ 469.209768 212.9
[M-H]- 445.213274 220.8
[M+NH4]+ 464.254373 219.0
[M+K]+ 485.183708 209.7
[M+H-H2O]+ 429.217810 199.4
[M+HCOO]- 491.218751 234.0
[M+CH3COO]- 505.234401 239.8
[M+Na-2H]- 467.195216 211.4
[M]+ 446.22000142 215.4
[M]- 446.22109858 215.4
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.