CID 16073293

Schembl2844773

Structural Information

Molecular Formula
C22H25FN2O5S
SMILES
CC(C)NC(=O)C1=C(OC2=CC(=C(C=C21)OC(C)C)NS(=O)(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H25FN2O5S/c1-12(2)24-22(26)20-16-10-19(29-13(3)4)17(25-31(5,27)28)11-18(16)30-21(20)14-6-8-15(23)9-7-14/h6-13,25H,1-5H3,(H,24,26)
InChIKey
ZNPHYYTWZNJUGM-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(methanesulfonamido)-N-propan-2-yl-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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.15410 206.2
[M+Na]+ 471.13604 213.5
[M-H]- 447.13954 214.0
[M+NH4]+ 466.18064 216.8
[M+K]+ 487.10998 211.1
[M+H-H2O]+ 431.14408 198.1
[M+HCOO]- 493.14502 221.5
[M+CH3COO]- 507.16067 236.4
[M+Na-2H]- 469.12149 205.8
[M]+ 448.14627 214.1
[M]- 448.14737 214.1
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