CID 16073224

Schembl2839659

Structural Information

Molecular Formula
C23H19FN2O3
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=CC=C3)N)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H19FN2O3/c1-26-23(27)21-17-11-20(28-13-14-5-3-2-4-6-14)18(25)12-19(17)29-22(21)15-7-9-16(24)10-8-15/h2-12H,13,25H2,1H3,(H,26,27)
InChIKey
SOLYQOYJVSJLSH-UHFFFAOYSA-N
Compound name
6-amino-2-(4-fluorophenyl)-N-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

390.13797 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14525 193.4
[M+Na]+ 413.12719 202.2
[M-H]- 389.13069 204.1
[M+NH4]+ 408.17179 205.4
[M+K]+ 429.10113 197.4
[M+H-H2O]+ 373.13523 183.3
[M+HCOO]- 435.13617 216.9
[M+CH3COO]- 449.15182 204.2
[M+Na-2H]- 411.11264 195.5
[M]+ 390.13742 196.1
[M]- 390.13852 196.1
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