CID 16073349

Schembl2839906

Structural Information

Molecular Formula
C22H25FN2O5S
SMILES
CCN(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC(C)C)S(=O)(=O)C
InChI
InChI=1S/C22H25FN2O5S/c1-6-25(31(5,27)28)17-12-18-16(11-19(17)29-13(2)3)20(22(26)24-4)21(30-18)14-7-9-15(23)10-8-14/h7-13H,6H2,1-5H3,(H,24,26)
InChIKey
GQGSPSCLPBYVJW-UHFFFAOYSA-N
Compound name
6-[ethyl(methylsulfonyl)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

10
Patents

448.14682 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.15410 206.6
[M+Na]+ 471.13604 214.4
[M-H]- 447.13954 215.8
[M+NH4]+ 466.18064 217.9
[M+K]+ 487.10998 212.7
[M+H-H2O]+ 431.14408 198.2
[M+HCOO]- 493.14502 223.4
[M+CH3COO]- 507.16067 238.6
[M+Na-2H]- 469.12149 206.5
[M]+ 448.14627 216.3
[M]- 448.14737 216.3
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

patents stripe