CID 16073350

Schembl2864028

Structural Information

Molecular Formula
C22H20FN3O3
SMILES
CC1=C(C(=NN1)C)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C22H20FN3O3/c1-11-19(12(2)26-25-11)15-10-18-16(9-17(15)28-4)20(22(27)24-3)21(29-18)13-5-7-14(23)8-6-13/h5-10H,1-4H3,(H,24,27)(H,25,26)
InChIKey
VILWREWIMMATGU-UHFFFAOYSA-N
Compound name
6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)-5-methoxy-N-methyl-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 194.2
[M+Na]+ 416.13808 205.3
[M-H]- 392.14158 202.9
[M+NH4]+ 411.18268 205.9
[M+K]+ 432.11202 200.0
[M+H-H2O]+ 376.14612 185.1
[M+HCOO]- 438.14706 214.5
[M+CH3COO]- 452.16271 205.1
[M+Na-2H]- 414.12353 192.6
[M]+ 393.14831 199.3
[M]- 393.14941 199.3
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.