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

539
Patents

337.15253 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.159806 177.9
[M+Na]+ 360.141748 185.9
[M-H]- 336.145254 183.8
[M+NH4]+ 355.186353 193.3
[M+K]+ 376.115688 186.3
[M+H-H2O]+ 320.149790 171.1
[M+HCOO]- 382.150731 201.1
[M+CH3COO]- 396.166381 215.0
[M+Na-2H]- 358.127196 180.0
[M]+ 337.15198142 189.6
[M]- 337.15307858 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.