CID 16073325

Schembl2839160

Structural Information

Molecular Formula
C22H20FN3O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=CC=NN4
InChI
InChI=1S/C22H20FN3O3/c1-12(2)28-18-11-16-19(10-15(18)17-8-9-25-26-17)29-21(20(16)22(27)24-3)13-4-6-14(23)7-5-13/h4-12H,1-3H3,(H,24,27)(H,25,26)
InChIKey
PPMFKFPSIVSIQS-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-(1H-pyrazol-5-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

393.14886 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15614 192.9
[M+Na]+ 416.13808 201.8
[M-H]- 392.14158 200.9
[M+NH4]+ 411.18268 203.8
[M+K]+ 432.11202 197.1
[M+H-H2O]+ 376.14612 183.4
[M+HCOO]- 438.14706 212.2
[M+CH3COO]- 452.16271 203.0
[M+Na-2H]- 414.12353 191.7
[M]+ 393.14831 196.5
[M]- 393.14941 196.5
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

No patent data available for this compound.