CID 9975273

Schembl2843668

Structural Information

Molecular Formula
C20H17FN2O3
SMILES
CC(C)OC1=CC2=C(C=C1C#N)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H17FN2O3/c1-11(2)25-16-9-15-17(8-13(16)10-22)26-19(18(15)20(24)23-3)12-4-6-14(21)7-5-12/h4-9,11H,1-3H3,(H,23,24)
InChIKey
FVAQLRAOGIRSEX-UHFFFAOYSA-N
Compound name
6-cyano-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

352.1223 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12958 187.5
[M+Na]+ 375.11152 199.2
[M-H]- 351.11502 193.4
[M+NH4]+ 370.15612 200.3
[M+K]+ 391.08546 193.4
[M+H-H2O]+ 335.11956 172.5
[M+HCOO]- 397.12050 205.6
[M+CH3COO]- 411.13615 226.8
[M+Na-2H]- 373.09697 187.5
[M]+ 352.12175 186.5
[M]- 352.12285 186.5
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