CID 50503

69405-69-2

Structural Information

Molecular Formula
C17H16BrNO2
SMILES
CN(C)CC1=CC2=C(C=C(O2)C3=CC=CC=C3)C(=C1O)Br
InChI
InChI=1S/C17H16BrNO2/c1-19(2)10-12-8-15-13(16(18)17(12)20)9-14(21-15)11-6-4-3-5-7-11/h3-9,20H,10H2,1-2H3
InChIKey
MZCIXRJQZBVKCJ-UHFFFAOYSA-N
Compound name
4-bromo-6-[(dimethylamino)methyl]-2-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.03644 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04372 172.2
[M+Na]+ 368.02566 177.6
[M+NH4]+ 363.07026 177.5
[M+K]+ 383.99960 177.8
[M-H]- 344.02916 176.9
[M+Na-2H]- 366.01111 176.4
[M]+ 345.03589 173.3
[M]- 345.03699 173.3
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.