CID 10064997

Schembl2843961

Structural Information

Molecular Formula
C19H18FNO3
SMILES
CC(C)OC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H18FNO3/c1-11(2)23-14-8-9-16-15(10-14)17(19(22)21-3)18(24-16)12-4-6-13(20)7-5-12/h4-11H,1-3H3,(H,21,22)
InChIKey
TVZWPUIQVROGKP-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

327.12708 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13436 176.3
[M+Na]+ 350.11630 185.5
[M-H]- 326.11980 184.4
[M+NH4]+ 345.16090 191.9
[M+K]+ 366.09024 182.5
[M+H-H2O]+ 310.12434 168.1
[M+HCOO]- 372.12528 198.8
[M+CH3COO]- 386.14093 213.1
[M+Na-2H]- 348.10175 178.4
[M]+ 327.12653 180.9
[M]- 327.12763 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe