CID 16073351

Schembl2869378

Structural Information

Molecular Formula
C23H22FN3O3
SMILES
CC1=C(C=NN1)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC(C)C
InChI
InChI=1S/C23H22FN3O3/c1-12(2)29-19-10-17-20(9-16(19)18-11-26-27-13(18)3)30-22(21(17)23(28)25-4)14-5-7-15(24)8-6-14/h5-12H,1-4H3,(H,25,28)(H,26,27)
InChIKey
FKVLGJADWWWUHX-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-(5-methyl-1H-pyrazol-4-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

407.16452 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17180 198.2
[M+Na]+ 430.15374 207.5
[M-H]- 406.15724 206.4
[M+NH4]+ 425.19834 208.8
[M+K]+ 446.12768 202.7
[M+H-H2O]+ 390.16178 188.8
[M+HCOO]- 452.16272 217.1
[M+CH3COO]- 466.17837 208.2
[M+Na-2H]- 428.13919 195.7
[M]+ 407.16397 202.5
[M]- 407.16507 202.5
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