CID 16073231

Schembl2842279

Structural Information

Molecular Formula
C24H22FN3O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)NC4=CC=NC=C4
InChI
InChI=1S/C24H22FN3O3/c1-14(2)30-21-12-18-20(13-19(21)28-17-8-10-27-11-9-17)31-23(22(18)24(29)26-3)15-4-6-16(25)7-5-15/h4-14H,1-3H3,(H,26,29)(H,27,28)
InChIKey
RDBTUJNNOBEOMY-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-(pyridin-4-ylamino)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

419.16452 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.17180 201.9
[M+Na]+ 442.15374 209.7
[M-H]- 418.15724 211.6
[M+NH4]+ 437.19834 211.4
[M+K]+ 458.12768 205.4
[M+H-H2O]+ 402.16178 190.8
[M+HCOO]- 464.16272 223.3
[M+CH3COO]- 478.17837 211.6
[M+Na-2H]- 440.13919 203.4
[M]+ 419.16397 205.7
[M]- 419.16507 205.7
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