CID 756546

505067-61-8

Structural Information

Molecular Formula
C16H14N2O4S
SMILES
CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C16H14N2O4S/c1-10-13-4-2-3-5-14(13)22-15(10)16(19)18-11-6-8-12(9-7-11)23(17,20)21/h2-9H,1H3,(H,18,19)(H2,17,20,21)
InChIKey
DGVHUFOQXAUYFQ-UHFFFAOYSA-N
Compound name
3-methyl-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

330.0674 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07468 173.4
[M+Na]+ 353.05662 185.2
[M+NH4]+ 348.10122 180.2
[M+K]+ 369.03056 180.3
[M-H]- 329.06012 178.2
[M+Na-2H]- 351.04207 179.7
[M]+ 330.06685 176.8
[M]- 330.06795 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.