CID 43418

2-benzofuranacetamide, n-(2,4-dichlorophenyl)-3,6-dihydroxy-, diacetate

Structural Information

Molecular Formula
C20H15Cl2NO6
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=C(O2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl)OC(=O)C
InChI
InChI=1S/C20H15Cl2NO6/c1-10(24)27-13-4-5-14-17(8-13)29-18(20(14)28-11(2)25)9-19(26)23-16-6-3-12(21)7-15(16)22/h3-8H,9H2,1-2H3,(H,23,26)
InChIKey
JLWFNSIPAWHIJR-UHFFFAOYSA-N
Compound name
[3-acetyloxy-2-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-benzofuran-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.02765 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.03493 196.6
[M+Na]+ 458.01687 207.0
[M-H]- 434.02037 205.8
[M+NH4]+ 453.06147 209.3
[M+K]+ 473.99081 203.4
[M+H-H2O]+ 418.02491 190.9
[M+HCOO]- 480.02585 210.2
[M+CH3COO]- 494.04150 226.9
[M+Na-2H]- 456.00232 196.5
[M]+ 435.02710 209.0
[M]- 435.02820 209.0
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.