CID 16073442

Schembl2839486

Structural Information

Molecular Formula
C21H23FN2O5S
SMILES
CCCOC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N(C)S(=O)(=O)C
InChI
InChI=1S/C21H23FN2O5S/c1-5-10-28-18-11-15-17(12-16(18)24(3)30(4,26)27)29-20(19(15)21(25)23-2)13-6-8-14(22)9-7-13/h6-9,11-12H,5,10H2,1-4H3,(H,23,25)
InChIKey
JYPMOJTXSSEXRO-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-propoxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

434.13116 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.13844 202.5
[M+Na]+ 457.12038 211.1
[M-H]- 433.12388 211.8
[M+NH4]+ 452.16498 214.5
[M+K]+ 473.09432 208.9
[M+H-H2O]+ 417.12842 194.0
[M+HCOO]- 479.12936 220.6
[M+CH3COO]- 493.14501 234.8
[M+Na-2H]- 455.10583 203.7
[M]+ 434.13061 212.4
[M]- 434.13171 212.4
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