CID 16073330

6-(3,5-dimethyl-isoxazol-4-ylamino)-2-(4-fluoro-phenyl)-5-isopropoxy-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C24H26FN3O4
SMILES
CC1C(=C(NO1)C)NC2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC(C)C
InChI
InChI=1S/C24H26FN3O4/c1-12(2)30-20-10-17-19(11-18(20)27-22-13(3)28-32-14(22)4)31-23(21(17)24(29)26-5)15-6-8-16(25)9-7-15/h6-12,14,27-28H,1-5H3,(H,26,29)
InChIKey
SXBUKRZSHAQNRB-UHFFFAOYSA-N
Compound name
6-[(3,5-dimethyl-2,5-dihydro-1,2-oxazol-4-yl)amino]-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

0
Patents

439.19073 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.19801 208.9
[M+Na]+ 462.17995 216.7
[M-H]- 438.18345 218.8
[M+NH4]+ 457.22455 218.0
[M+K]+ 478.15389 213.7
[M+H-H2O]+ 422.18799 200.3
[M+HCOO]- 484.18893 227.4
[M+CH3COO]- 498.20458 236.4
[M+Na-2H]- 460.16540 205.7
[M]+ 439.19018 213.5
[M]- 439.19128 213.5
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.