CID 16073514

Schembl2843800

Structural Information

Molecular Formula
C21H17FN2O4S2
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)C3=CC=CS3)NS(=O)(=O)C)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H17FN2O4S2/c1-23-21(25)19-15-10-14(18-4-3-9-29-18)16(24-30(2,26)27)11-17(15)28-20(19)12-5-7-13(22)8-6-12/h3-11,24H,1-2H3,(H,23,25)
InChIKey
IJJVAACGSOJIRR-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-thiophen-2-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

444.06137 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.06865 203.3
[M+Na]+ 467.05059 214.0
[M-H]- 443.05409 214.9
[M+NH4]+ 462.09519 216.5
[M+K]+ 483.02453 208.8
[M+H-H2O]+ 427.05863 197.2
[M+HCOO]- 489.05957 218.3
[M+CH3COO]- 503.07522 214.0
[M+Na-2H]- 465.03604 204.4
[M]+ 444.06082 210.6
[M]- 444.06192 210.6
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