CID 16073327

Schembl2856183

Structural Information

Molecular Formula
C23H22FN3O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=NN(C=C4)C
InChI
InChI=1S/C23H22FN3O3/c1-13(2)29-19-12-17-20(11-16(19)18-9-10-27(4)26-18)30-22(21(17)23(28)25-3)14-5-7-15(24)8-6-14/h5-13H,1-4H3,(H,25,28)
InChIKey
SDNVSJXNMVFVCD-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-(1-methylpyrazol-3-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17180 198.3
[M+Na]+ 430.15374 208.2
[M-H]- 406.15724 207.9
[M+NH4]+ 425.19834 209.7
[M+K]+ 446.12768 204.0
[M+H-H2O]+ 390.16178 188.6
[M+HCOO]- 452.16272 218.7
[M+CH3COO]- 466.17837 209.0
[M+Na-2H]- 428.13919 196.2
[M]+ 407.16397 204.4
[M]- 407.16507 204.4
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