CID 370571

Nsc643816

Structural Information

Molecular Formula
C22H17NO2
SMILES
C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C22H17NO2/c24-22(21-15-18-11-7-8-14-20(18)25-21)23(19-12-5-2-6-13-19)16-17-9-3-1-4-10-17/h1-15H,16H2
InChIKey
MNNOTYOXUNXPPQ-UHFFFAOYSA-N
Compound name
N-benzyl-N-phenyl-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

327.12592 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13320 177.6
[M+Na]+ 350.11514 184.5
[M-H]- 326.11864 190.2
[M+NH4]+ 345.15974 192.3
[M+K]+ 366.08908 180.9
[M+H-H2O]+ 310.12318 168.4
[M+HCOO]- 372.12412 202.5
[M+CH3COO]- 386.13977 189.6
[M+Na-2H]- 348.10059 183.1
[M]+ 327.12537 180.5
[M]- 327.12647 180.5
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

patents stripe