CID 3069852

3-benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CN(C)C
InChI
InChI=1S/C17H24N2O4/c1-6-22-17(21)16-14(10-19(4)5)23-13-8-7-12(20)11(15(13)16)9-18(2)3/h7-8,20H,6,9-10H2,1-5H3
InChIKey
NYSJRDWPRDPSOJ-UHFFFAOYSA-N
Compound name
ethyl 2,4-bis[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 176.2
[M+Na]+ 343.16282 186.2
[M+NH4]+ 338.20742 182.3
[M+K]+ 359.13676 183.8
[M-H]- 319.16632 179.3
[M+Na-2H]- 341.14827 178.8
[M]+ 320.17305 178.2
[M]- 320.17415 178.2
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.