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 186.9
[M+Na]+ 473.96746 197.1
[M-H]- 449.97096 197.3
[M+NH4]+ 469.01206 202.2
[M+K]+ 489.94140 182.7
[M+H-H2O]+ 433.97550 193.2
[M+HCOO]- 495.97644 202.4
[M+CH3COO]- 509.99209 228.8
[M+Na-2H]- 471.95291 189.7
[M]+ 450.97769 224.7
[M]- 450.97879 224.7
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.