CID 50504

Brn 1266759

Structural Information

Molecular Formula
C20H20BrNO2
SMILES
C1CCN(CC1)CC2=CC3=C(C=C(O3)C4=CC=CC=C4)C(=C2O)Br
InChI
InChI=1S/C20H20BrNO2/c21-19-16-12-17(14-7-3-1-4-8-14)24-18(16)11-15(20(19)23)13-22-9-5-2-6-10-22/h1,3-4,7-8,11-12,23H,2,5-6,9-10,13H2
InChIKey
JWVAEDCCBWAXDV-UHFFFAOYSA-N
Compound name
4-bromo-2-phenyl-6-(piperidin-1-ylmethyl)-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.06775 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07503 187.5
[M+Na]+ 408.05697 197.6
[M-H]- 384.06047 198.3
[M+NH4]+ 403.10157 202.4
[M+K]+ 424.03091 186.0
[M+H-H2O]+ 368.06501 185.8
[M+HCOO]- 430.06595 203.2
[M+CH3COO]- 444.08160 199.4
[M+Na-2H]- 406.04242 190.4
[M]+ 385.06720 205.0
[M]- 385.06830 205.0
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.