CID 34611

5-benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride

Structural Information

Molecular Formula
C18H17NO3
SMILES
CN(C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H17NO3/c1-19(2)10-13-15(20)8-9-16-17(13)14(11-22-16)18(21)12-6-4-3-5-7-12/h3-9,11,20H,10H2,1-2H3
InChIKey
AYBQHIDQEUQFOJ-UHFFFAOYSA-N
Compound name
[4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 167.5
[M+Na]+ 318.11007 181.6
[M+NH4]+ 313.15467 175.7
[M+K]+ 334.08401 176.9
[M-H]- 294.11357 173.6
[M+Na-2H]- 316.09552 174.9
[M]+ 295.12030 171.3
[M]- 295.12140 171.3
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.