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 168.1
[M+Na]+ 318.11007 176.7
[M-H]- 294.11357 177.4
[M+NH4]+ 313.15467 184.8
[M+K]+ 334.08401 174.4
[M+H-H2O]+ 278.11811 160.9
[M+HCOO]- 340.11905 192.0
[M+CH3COO]- 354.13470 206.9
[M+Na-2H]- 316.09552 172.1
[M]+ 295.12030 173.1
[M]- 295.12140 173.1
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.