CID 10548713

Ethyl ((2-benzoyl-1-benzofuran-3-yl)(ethoxycarbonyl)amino)acetate

Structural Information

Molecular Formula
C22H21NO6
SMILES
CCOC(=O)CN(C1=C(OC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)OCC
InChI
InChI=1S/C22H21NO6/c1-3-27-18(24)14-23(22(26)28-4-2)19-16-12-8-9-13-17(16)29-21(19)20(25)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3
InChIKey
VCOPMHJADXMZTK-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-benzoyl-1-benzofuran-3-yl)-ethoxycarbonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1369 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14418 191.2
[M+Na]+ 418.12612 202.4
[M+NH4]+ 413.17072 196.4
[M+K]+ 434.10006 199.5
[M-H]- 394.12962 195.0
[M+Na-2H]- 416.11157 196.2
[M]+ 395.13635 193.6
[M]- 395.13745 193.6
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.