CID 10710305

(3-amino-1-benzofuran-2-yl)((1,1'-biphenyl)-4-yl)methanone

Structural Information

Molecular Formula
C21H15NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=C(C4=CC=CC=C4O3)N
InChI
InChI=1S/C21H15NO2/c22-19-17-8-4-5-9-18(17)24-21(19)20(23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,22H2
InChIKey
SEIYYXJTYZUGHJ-UHFFFAOYSA-N
Compound name
(3-amino-1-benzofuran-2-yl)-(4-phenylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1103 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.117576 173.2
[M+Na]+ 336.099518 182.3
[M-H]- 312.103024 185.0
[M+NH4]+ 331.144123 188.3
[M+K]+ 352.073458 177.4
[M+H-H2O]+ 296.107560 164.9
[M+HCOO]- 358.108501 197.5
[M+CH3COO]- 372.124151 185.7
[M+Na-2H]- 334.084966 177.8
[M]+ 313.10975142 174.7
[M]- 313.11084858 174.7
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.