CID 50508

2,4-dibromo-6-(diethylaminomethyl)-3-phenyl-5-benzofuranol hydrochloride

Structural Information

Molecular Formula
C19H19Br2NO2
SMILES
CCN(CC)CC1=CC2=C(C(=C(O2)Br)C3=CC=CC=C3)C(=C1O)Br
InChI
InChI=1S/C19H19Br2NO2/c1-3-22(4-2)11-13-10-14-16(17(20)18(13)23)15(19(21)24-14)12-8-6-5-7-9-12/h5-10,23H,3-4,11H2,1-2H3
InChIKey
QQCXPKILBKJEOU-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-(diethylaminomethyl)-3-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.97824 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.98552 185.3
[M+Na]+ 473.96746 181.3
[M+NH4]+ 469.01206 187.0
[M+K]+ 489.94140 186.9
[M-H]- 449.97096 188.3
[M+Na-2H]- 471.95291 185.8
[M]+ 450.97769 184.6
[M]- 450.97879 184.6
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.