CID 16073202

Schembl2845245

Structural Information

Molecular Formula
C29H23NO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=CC=CC=C3C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H23NO3/c1-30-29(31)27-25-18-23(16-17-26(25)33-28(27)21-12-6-3-7-13-21)32-19-22-14-8-9-15-24(22)20-10-4-2-5-11-20/h2-18H,19H2,1H3,(H,30,31)
InChIKey
UBOVJUYLYWXQAR-UHFFFAOYSA-N
Compound name
N-methyl-2-phenyl-5-[(2-phenylphenyl)methoxy]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

433.1678 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17508 207.5
[M+Na]+ 456.15702 214.6
[M-H]- 432.16052 221.9
[M+NH4]+ 451.20162 217.1
[M+K]+ 472.13096 209.1
[M+H-H2O]+ 416.16506 196.5
[M+HCOO]- 478.16600 230.4
[M+CH3COO]- 492.18165 217.3
[M+Na-2H]- 454.14247 209.8
[M]+ 433.16725 211.0
[M]- 433.16835 211.0
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

patents stripe