CID 16073279

Schembl2843405

Structural Information

Molecular Formula
C30H24FNO4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)F
InChI
InChI=1S/C30H24FNO4/c1-32-30(33)28-24-16-26(34-18-20-8-4-2-5-9-20)27(35-19-21-10-6-3-7-11-21)17-25(24)36-29(28)22-12-14-23(31)15-13-22/h2-17H,18-19H2,1H3,(H,32,33)
InChIKey
TXYYVMULEAACOM-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5,6-bis(phenylmethoxy)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

481.16895 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.17623 218.9
[M+Na]+ 504.15817 226.2
[M-H]- 480.16167 232.2
[M+NH4]+ 499.20277 226.6
[M+K]+ 520.13211 220.9
[M+H-H2O]+ 464.16621 206.6
[M+HCOO]- 526.16715 240.5
[M+CH3COO]- 540.18280 227.8
[M+Na-2H]- 502.14362 219.5
[M]+ 481.16840 223.7
[M]- 481.16950 223.7
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

patents stripe