CID 10854547

301538-61-4

Structural Information

Molecular Formula
C19H17NO5
SMILES
CCOC(=O)COC1=CC=CC2=C1OC(=C2N)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H17NO5/c1-2-23-15(21)11-24-14-10-6-9-13-16(20)19(25-18(13)14)17(22)12-7-4-3-5-8-12/h3-10H,2,11,20H2,1H3
InChIKey
AODAUEOBAXFWMI-UHFFFAOYSA-N
Compound name
ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 178.3
[M+Na]+ 362.09992 186.3
[M-H]- 338.10342 186.9
[M+NH4]+ 357.14452 192.5
[M+K]+ 378.07386 184.3
[M+H-H2O]+ 322.10796 170.5
[M+HCOO]- 384.10890 201.7
[M+CH3COO]- 398.12455 212.3
[M+Na-2H]- 360.08537 181.0
[M]+ 339.11015 184.6
[M]- 339.11125 184.6
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.