CID 54443

5-benzofurancarboxylic acid, 4,7-dimethoxy-6-hydroxy-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C17H23NO6
SMILES
CCN(CC)CCOC(=O)C1=C(C2=C(C(=C1O)OC)OC=C2)OC
InChI
InChI=1S/C17H23NO6/c1-5-18(6-2)8-10-24-17(20)12-13(19)16(22-4)15-11(7-9-23-15)14(12)21-3/h7,9,19H,5-6,8,10H2,1-4H3
InChIKey
BZBYNMPLGUCSDF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

683
Patents

337.15253 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.15981 177.9
[M+Na]+ 360.14175 185.9
[M-H]- 336.14525 183.8
[M+NH4]+ 355.18635 193.3
[M+K]+ 376.11569 186.3
[M+H-H2O]+ 320.14979 171.1
[M+HCOO]- 382.15073 201.1
[M+CH3COO]- 396.16638 215.0
[M+Na-2H]- 358.12720 180.0
[M]+ 337.15198 189.6
[M]- 337.15308 189.6
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.