CID 43416

3,6-dihydroxy-2-benzofuranacetamide diacetate

Structural Information

Molecular Formula
C14H13NO6
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=C(O2)CC(=O)N)OC(=O)C
InChI
InChI=1S/C14H13NO6/c1-7(16)19-9-3-4-10-11(5-9)21-12(6-13(15)18)14(10)20-8(2)17/h3-5H,6H2,1-2H3,(H2,15,18)
InChIKey
MCMQMMLXWFZTJU-UHFFFAOYSA-N
Compound name
[3-acetyloxy-2-(2-amino-2-oxoethyl)-1-benzofuran-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.07428 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08156 162.6
[M+Na]+ 314.06350 172.4
[M+NH4]+ 309.10810 167.5
[M+K]+ 330.03744 171.7
[M-H]- 290.06700 163.3
[M+Na-2H]- 312.04895 164.4
[M]+ 291.07373 163.8
[M]- 291.07483 163.8
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.