CID 34617

5-benzofuranol, 3-(p-anisoyl)-4-dimethylaminomethyl-, hydrochloride

Structural Information

Molecular Formula
C19H19NO4
SMILES
CN(C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C19H19NO4/c1-20(2)10-14-16(21)8-9-17-18(14)15(11-24-17)19(22)12-4-6-13(23-3)7-5-12/h4-9,11,21H,10H2,1-3H3
InChIKey
HCVIRQAHQORRAA-UHFFFAOYSA-N
Compound name
[4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

325.1314 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 175.8
[M+Na]+ 348.120618 184.6
[M-H]- 324.124124 185.3
[M+NH4]+ 343.165223 191.3
[M+K]+ 364.094558 182.9
[M+H-H2O]+ 308.128660 168.3
[M+HCOO]- 370.129601 199.4
[M+CH3COO]- 384.145251 213.3
[M+Na-2H]- 346.106066 178.7
[M]+ 325.13085142 182.9
[M]- 325.13194858 182.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.