CID 717777

4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide

Structural Information

Molecular Formula
C21H18N2O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)C(=O)N
InChI
InChI=1S/C21H18N2O3/c22-21(25)17-6-10-18(11-7-17)23-20(24)14-26-19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-13H,14H2,(H2,22,25)(H,23,24)
InChIKey
AWHZOHCWDCVMNE-UHFFFAOYSA-N
Compound name
4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

346.13174 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.139016 181.8
[M+Na]+ 369.120958 186.3
[M-H]- 345.124464 190.7
[M+NH4]+ 364.165563 193.0
[M+K]+ 385.094898 181.8
[M+H-H2O]+ 329.129000 171.7
[M+HCOO]- 391.129941 205.4
[M+CH3COO]- 405.145591 216.5
[M+Na-2H]- 367.106406 184.7
[M]+ 346.13119142 180.5
[M]- 346.13228858 180.5
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.