CID 16073443

Schembl2838328

Structural Information

Molecular Formula
C21H21FN2O5S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC=C)N(C)S(=O)(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H21FN2O5S/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/h5-9,11-12H,1,10H2,2-4H3,(H,23,25)
InChIKey
XEORMKJLCFSMBB-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-prop-2-enoxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

432.1155 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12278 201.7
[M+Na]+ 455.10472 210.7
[M-H]- 431.10822 211.1
[M+NH4]+ 450.14932 213.7
[M+K]+ 471.07866 207.8
[M+H-H2O]+ 415.11276 193.3
[M+HCOO]- 477.11370 220.1
[M+CH3COO]- 491.12935 234.1
[M+Na-2H]- 453.09017 203.0
[M]+ 432.11495 210.9
[M]- 432.11605 210.9
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

patents stripe