CID 3064772

2-acetyl-4-(n-carboxymethylsulfamoyl)-7-benzyloxybenzofuran

Structural Information

Molecular Formula
C19H17NO7S
SMILES
CC(=O)C1=CC2=C(C=CC(=C2O1)OCC3=CC=CC=C3)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C19H17NO7S/c1-12(21)16-9-14-17(28(24,25)20-10-18(22)23)8-7-15(19(14)27-16)26-11-13-5-3-2-4-6-13/h2-9,20H,10-11H2,1H3,(H,22,23)
InChIKey
MYSRCZRCXZKCCL-UHFFFAOYSA-N
Compound name
2-[(2-acetyl-7-phenylmethoxy-1-benzofuran-4-yl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

403.07257 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.07985 189.6
[M+Na]+ 426.06179 199.8
[M+NH4]+ 421.10639 194.0
[M+K]+ 442.03573 196.5
[M-H]- 402.06529 191.8
[M+Na-2H]- 424.04724 193.8
[M]+ 403.07202 191.9
[M]- 403.07312 191.9
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

patents stripe