CID 16073317

Schembl2836435

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

434.13116 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.13844 202.1
[M+Na]+ 457.12038 210.3
[M-H]- 433.12388 211.5
[M+NH4]+ 452.16498 214.0
[M+K]+ 473.09432 208.8
[M+H-H2O]+ 417.12842 193.8
[M+HCOO]- 479.12936 219.2
[M+CH3COO]- 493.14501 235.7
[M+Na-2H]- 455.10583 202.4
[M]+ 434.13061 211.4
[M]- 434.13171 211.4
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