CID 11189553

Schembl12167788

Structural Information

Molecular Formula
C25H20N2O5
SMILES
C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)C4=CC=CO4
InChI
InChI=1S/C25H20N2O5/c28-24(17-31-20-5-2-1-3-6-20)26-18-8-12-21(13-9-18)32-22-14-10-19(11-15-22)27-25(29)23-7-4-16-30-23/h1-16H,17H2,(H,26,28)(H,27,29)
InChIKey
CHIFGXUCPJFDAA-UHFFFAOYSA-N
Compound name
N-[4-[4-[(2-phenoxyacetyl)amino]phenoxy]phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

428.1372 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14448 200.4
[M+Na]+ 451.12642 203.8
[M-H]- 427.12992 213.5
[M+NH4]+ 446.17102 208.2
[M+K]+ 467.10036 201.2
[M+H-H2O]+ 411.13446 189.5
[M+HCOO]- 473.13540 224.5
[M+CH3COO]- 487.15105 228.7
[M+Na-2H]- 449.11187 202.9
[M]+ 428.13665 202.8
[M]- 428.13775 202.8
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