CID 11339933

Schembl12167755

Structural Information

Molecular Formula
C28H24N2O4
SMILES
C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4
InChI
InChI=1S/C28H24N2O4/c31-27(19-21-7-3-1-4-8-21)29-22-11-15-25(16-12-22)34-26-17-13-23(14-18-26)30-28(32)20-33-24-9-5-2-6-10-24/h1-18H,19-20H2,(H,29,31)(H,30,32)
InChIKey
JIZJVUCFXOCJIX-UHFFFAOYSA-N
Compound name
N-[4-[4-[(2-phenoxyacetyl)amino]phenoxy]phenyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

452.1736 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.18088 209.0
[M+Na]+ 475.16282 211.1
[M-H]- 451.16632 220.2
[M+NH4]+ 470.20742 215.0
[M+K]+ 491.13676 206.0
[M+H-H2O]+ 435.17086 196.3
[M+HCOO]- 497.17180 231.7
[M+CH3COO]- 511.18745 235.2
[M+Na-2H]- 473.14827 211.9
[M]+ 452.17305 209.1
[M]- 452.17415 209.1
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