CID 10338335

2-(4-fluoro-phenyl)-5-isopropoxy-6-methylamino-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C20H21FN2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)NC
InChI
InChI=1S/C20H21FN2O3/c1-11(2)25-17-9-14-16(10-15(17)22-3)26-19(18(14)20(24)23-4)12-5-7-13(21)8-6-12/h5-11,22H,1-4H3,(H,23,24)
InChIKey
SEIDEYSWKMEUBY-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

356.15363 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16091 185.5
[M+Na]+ 379.14285 194.1
[M-H]- 355.14635 193.7
[M+NH4]+ 374.18745 199.8
[M+K]+ 395.11679 191.1
[M+H-H2O]+ 339.15089 176.8
[M+HCOO]- 401.15183 208.5
[M+CH3COO]- 415.16748 222.5
[M+Na-2H]- 377.12830 186.9
[M]+ 356.15308 190.1
[M]- 356.15418 190.1
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