CID 16073468

5-[[5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methoxy]-2-(4-fluorophenyl)-n-methyl-6-[methyl(methylsulfonyl)amino]benzofuran-3-carboxamide

Structural Information

Molecular Formula
C25H26FN5O5S2
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=NSC(=N3)N(C)C4CC4)N(C)S(=O)(=O)C)C5=CC=C(C=C5)F
InChI
InChI=1S/C25H26FN5O5S2/c1-27-24(32)22-17-11-20(35-13-21-28-25(37-29-21)30(2)16-9-10-16)18(31(3)38(4,33)34)12-19(17)36-23(22)14-5-7-15(26)8-6-14/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,27,32)
InChIKey
CCMWITUXJIPGEE-UHFFFAOYSA-N
Compound name
5-[[5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methoxy]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.1359 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.14318 219.8
[M+Na]+ 582.12512 228.4
[M-H]- 558.12862 233.3
[M+NH4]+ 577.16972 221.8
[M+K]+ 598.09906 224.3
[M+H-H2O]+ 542.13316 213.1
[M+HCOO]- 604.13410 233.1
[M+CH3COO]- 618.14975 258.1
[M+Na-2H]- 580.11057 220.1
[M]+ 559.13535 232.9
[M]- 559.13645 232.9
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.