CID 16073251

Schembl2835977

Structural Information

Molecular Formula
C24H21FN2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=CN=CC=C4
InChI
InChI=1S/C24H21FN2O3/c1-14(2)29-20-12-19-21(11-18(20)16-5-4-10-27-13-16)30-23(22(19)24(28)26-3)15-6-8-17(25)9-7-15/h4-14H,1-3H3,(H,26,28)
InChIKey
UESBQPJRCHKKJF-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-pyridin-3-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

404.15363 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16091 198.6
[M+Na]+ 427.14285 207.4
[M-H]- 403.14635 208.4
[M+NH4]+ 422.18745 209.1
[M+K]+ 443.11679 202.9
[M+H-H2O]+ 387.15089 187.8
[M+HCOO]- 449.15183 219.0
[M+CH3COO]- 463.16748 208.8
[M+Na-2H]- 425.12830 199.3
[M]+ 404.15308 203.0
[M]- 404.15418 203.0
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