CID 44395

4-((dimethylamino)methyl)-2-phenyl-5-benzofuranol hydrochloride

Structural Information

Molecular Formula
C17H17NO2
SMILES
CN(C)CC1=C(C=CC2=C1C=C(O2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H17NO2/c1-18(2)11-14-13-10-17(12-6-4-3-5-7-12)20-16(13)9-8-15(14)19/h3-10,19H,11H2,1-2H3
InChIKey
ODIUHSOACYCMLB-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]-2-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.12592 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 160.8
[M+Na]+ 290.11514 170.1
[M-H]- 266.11864 170.2
[M+NH4]+ 285.15974 178.9
[M+K]+ 306.08908 167.4
[M+H-H2O]+ 250.12318 153.8
[M+HCOO]- 312.12412 185.8
[M+CH3COO]- 326.13977 174.5
[M+Na-2H]- 288.10059 166.5
[M]+ 267.12537 165.3
[M]- 267.12647 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

literature stripe

Patent stripe

No patent data available for this compound.