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]+ 326.13868 175.8
[M+Na]+ 348.12062 184.6
[M-H]- 324.12412 185.3
[M+NH4]+ 343.16522 191.3
[M+K]+ 364.09456 182.9
[M+H-H2O]+ 308.12866 168.3
[M+HCOO]- 370.12960 199.4
[M+CH3COO]- 384.14525 213.3
[M+Na-2H]- 346.10607 178.7
[M]+ 325.13085 182.9
[M]- 325.13195 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.