CID 16073247

Schembl2844086

Structural Information

Molecular Formula
C19H19FN2O5S
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)S(=O)(=O)N
InChI
InChI=1S/C19H19FN2O5S/c1-10(2)26-15-8-13-14(9-16(15)28(21,24)25)27-18(17(13)19(23)22-3)11-4-6-12(20)7-5-11/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)
InChIKey
VLNQARBKGDZZSJ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-sulfamoyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

406.09988 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10716 193.5
[M+Na]+ 429.08910 202.6
[M-H]- 405.09260 201.3
[M+NH4]+ 424.13370 205.7
[M+K]+ 445.06304 199.7
[M+H-H2O]+ 389.09714 185.7
[M+HCOO]- 451.09808 210.2
[M+CH3COO]- 465.11373 226.3
[M+Na-2H]- 427.07455 194.4
[M]+ 406.09933 200.0
[M]- 406.10043 200.0
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