CID 43417

2-benzofuranacetamide, 3,6-dihydroxy-n-(m-hydroxyphenyl)-, 3,6-diacetate

Structural Information

Molecular Formula
C20H17NO7
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=C(O2)CC(=O)NC3=CC(=CC=C3)O)OC(=O)C
InChI
InChI=1S/C20H17NO7/c1-11(22)26-15-6-7-16-17(9-15)28-18(20(16)27-12(2)23)10-19(25)21-13-4-3-5-14(24)8-13/h3-9,24H,10H2,1-2H3,(H,21,25)
InChIKey
SDQMCIQSOIPMJL-UHFFFAOYSA-N
Compound name
[3-acetyloxy-2-[2-(3-hydroxyanilino)-2-oxoethyl]-1-benzofuran-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.10778 186.7
[M+Na]+ 406.08972 194.2
[M-H]- 382.09322 194.8
[M+NH4]+ 401.13432 198.7
[M+K]+ 422.06366 193.3
[M+H-H2O]+ 366.09776 179.1
[M+HCOO]- 428.09870 208.4
[M+CH3COO]- 442.11435 218.5
[M+Na-2H]- 404.07517 188.1
[M]+ 383.09995 194.3
[M]- 383.10105 194.3
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.