CID 16073358

Schembl2869147

Structural Information

Molecular Formula
C25H26FN3O3
SMILES
CC1=C(C(=NN1C)C)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC(C)C
InChI
InChI=1S/C25H26FN3O3/c1-13(2)31-20-12-19-21(11-18(20)22-14(3)28-29(6)15(22)4)32-24(23(19)25(30)27-5)16-7-9-17(26)10-8-16/h7-13H,1-6H3,(H,27,30)
InChIKey
GJGKCHIBTNYWNR-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

435.19583 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.20311 208.4
[M+Na]+ 458.18505 219.0
[M-H]- 434.18855 218.3
[M+NH4]+ 453.22965 219.2
[M+K]+ 474.15899 214.6
[M+H-H2O]+ 418.19309 198.9
[M+HCOO]- 480.19403 228.0
[M+CH3COO]- 494.20968 237.0
[M+Na-2H]- 456.17050 203.8
[M]+ 435.19528 216.0
[M]- 435.19638 216.0
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