CID 57800

100347-62-4

Structural Information

Molecular Formula
C22H18BrNO2
SMILES
C1=CC=C(C=C1)CNCC2=C(C=CC3=C2C(=C(O3)Br)C4=CC=CC=C4)O
InChI
InChI=1S/C22H18BrNO2/c23-22-20(16-9-5-2-6-10-16)21-17(18(25)11-12-19(21)26-22)14-24-13-15-7-3-1-4-8-15/h1-12,24-25H,13-14H2
InChIKey
YGSQRCUTRBEXNJ-UHFFFAOYSA-N
Compound name
4-[(benzylamino)methyl]-2-bromo-3-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.0521 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.05938 191.6
[M+Na]+ 430.04132 198.5
[M+NH4]+ 425.08592 196.9
[M+K]+ 446.01526 196.4
[M-H]- 406.04482 198.3
[M+Na-2H]- 428.02677 197.5
[M]+ 407.05155 193.6
[M]- 407.05265 193.6
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.