CID 16073343

Schembl2862494

Structural Information

Molecular Formula
C24H24FN3O3
SMILES
CC1=CC(=NN1C)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC(C)C
InChI
InChI=1S/C24H24FN3O3/c1-13(2)30-20-12-18-21(11-17(20)19-10-14(3)28(5)27-19)31-23(22(18)24(29)26-4)15-6-8-16(25)9-7-15/h6-13H,1-5H3,(H,26,29)
InChIKey
YTXYDSLLYVXHIQ-UHFFFAOYSA-N
Compound name
6-(1,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

421.18018 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18746 203.4
[M+Na]+ 444.16940 213.7
[M-H]- 420.17290 213.2
[M+NH4]+ 439.21400 214.5
[M+K]+ 460.14334 209.3
[M+H-H2O]+ 404.17744 193.8
[M+HCOO]- 466.17838 223.4
[M+CH3COO]- 480.19403 232.8
[M+Na-2H]- 442.15485 200.0
[M]+ 421.17963 210.2
[M]- 421.18073 210.2
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