CID 44397

4-((dimethylamino)methyl)-3-phenyl-5-benzofuranol hydrochloride

Structural Information

Molecular Formula
C17H17NO2
SMILES
CN(C)CC1=C(C=CC2=C1C(=CO2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H17NO2/c1-18(2)10-13-15(19)8-9-16-17(13)14(11-20-16)12-6-4-3-5-7-12/h3-9,11,19H,10H2,1-2H3
InChIKey
HFACHNYJUMXZKZ-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]-3-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12592 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.133196 160.8
[M+Na]+ 290.115138 170.1
[M-H]- 266.118644 170.2
[M+NH4]+ 285.159743 178.9
[M+K]+ 306.089078 167.4
[M+H-H2O]+ 250.123180 153.8
[M+HCOO]- 312.124121 185.8
[M+CH3COO]- 326.139771 174.5
[M+Na-2H]- 288.100586 166.5
[M]+ 267.12537142 165.3
[M]- 267.12646858 165.3
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.