CID 51060028

Ethyl (acetyl(2-((1,1'-biphenyl)-4-ylcarbonyl)-1-benzofuran-3-yl)amino)acetate

Structural Information

Molecular Formula
C27H23NO5
SMILES
CCOC(=O)CN(C1=C(OC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C
InChI
InChI=1S/C27H23NO5/c1-3-32-24(30)17-28(18(2)29)25-22-11-7-8-12-23(22)33-27(25)26(31)21-15-13-20(14-16-21)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3
InChIKey
FRUSJYRFXDBYQC-UHFFFAOYSA-N
Compound name
ethyl 2-[acetyl-[2-(4-phenylbenzoyl)-1-benzofuran-3-yl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.15762 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.16490 208.6
[M+Na]+ 464.14684 214.0
[M-H]- 440.15034 221.3
[M+NH4]+ 459.19144 218.4
[M+K]+ 480.12078 212.1
[M+H-H2O]+ 424.15488 198.6
[M+HCOO]- 486.15582 230.4
[M+CH3COO]- 500.17147 235.2
[M+Na-2H]- 462.13229 208.1
[M]+ 441.15707 215.3
[M]- 441.15817 215.3
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.