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 194.2
[M+Na]+ 418.12612 199.9
[M-H]- 394.12962 203.9
[M+NH4]+ 413.17072 206.5
[M+K]+ 434.10006 199.8
[M+H-H2O]+ 378.13416 185.6
[M+HCOO]- 440.13510 217.0
[M+CH3COO]- 454.15075 224.7
[M+Na-2H]- 416.11157 195.2
[M]+ 395.13635 203.2
[M]- 395.13745 203.2
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

No patent data available for this compound.