CID 34619

5-benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride

Structural Information

Molecular Formula
C20H21NO5
SMILES
CN(C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC(=C(C=C3)OC)OC)O
InChI
InChI=1S/C20H21NO5/c1-21(2)10-13-15(22)6-8-17-19(13)14(11-26-17)20(23)12-5-7-16(24-3)18(9-12)25-4/h5-9,11,22H,10H2,1-4H3
InChIKey
WRGFQGORRYZJFX-UHFFFAOYSA-N
Compound name
(3,4-dimethoxyphenyl)-[4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14197 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 182.7
[M+Na]+ 378.13119 196.0
[M+NH4]+ 373.17579 189.3
[M+K]+ 394.10513 192.4
[M-H]- 354.13469 187.7
[M+Na-2H]- 376.11664 188.1
[M]+ 355.14142 186.0
[M]- 355.14252 186.0
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.