CID 3052921

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

Structural Information

Molecular Formula
C17H15Br2NO2
SMILES
CN(C)CC1=CC2=C(C(=C(O2)Br)C3=CC=CC=C3)C(=C1O)Br
InChI
InChI=1S/C17H15Br2NO2/c1-20(2)9-11-8-12-14(15(18)16(11)21)13(17(19)22-12)10-6-4-3-5-7-10/h3-8,21H,9H2,1-2H3
InChIKey
BZNVIMASRTVUSZ-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-[(dimethylamino)methyl]-3-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.94696 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.95424 178.5
[M+Na]+ 445.93618 189.5
[M-H]- 421.93968 189.2
[M+NH4]+ 440.98078 194.7
[M+K]+ 461.91012 175.4
[M+H-H2O]+ 405.94422 185.1
[M+HCOO]- 467.94516 194.6
[M+CH3COO]- 481.96081 191.4
[M+Na-2H]- 443.92163 182.3
[M]+ 422.94641 215.9
[M]- 422.94751 215.9
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.