CID 11305887

Schembl12167712

Structural Information

Molecular Formula
C28H24N2O5
SMILES
COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4
InChI
InChI=1S/C28H24N2O5/c1-33-26-9-5-6-20(18-26)28(32)30-22-12-16-25(17-13-22)35-24-14-10-21(11-15-24)29-27(31)19-34-23-7-3-2-4-8-23/h2-18H,19H2,1H3,(H,29,31)(H,30,32)
InChIKey
BKRRUUOOVKLBBA-UHFFFAOYSA-N
Compound name
3-methoxy-N-[4-[4-[(2-phenoxyacetyl)amino]phenoxy]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

468.16852 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.17580 212.3
[M+Na]+ 491.15774 215.0
[M-H]- 467.16124 223.9
[M+NH4]+ 486.20234 217.8
[M+K]+ 507.13168 211.0
[M+H-H2O]+ 451.16578 199.5
[M+HCOO]- 513.16672 235.1
[M+CH3COO]- 527.18237 238.7
[M+Na-2H]- 489.14319 214.6
[M]+ 468.16797 214.2
[M]- 468.16907 214.2
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