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]+ 331.074676 174.0
[M+Na]+ 353.056618 183.8
[M-H]- 329.060124 183.2
[M+NH4]+ 348.101223 189.3
[M+K]+ 369.030558 180.3
[M+H-H2O]+ 313.064660 167.5
[M+HCOO]- 375.065601 193.9
[M+CH3COO]- 389.081251 209.0
[M+Na-2H]- 351.042066 178.9
[M]+ 330.06685142 179.0
[M]- 330.06794858 179.0
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.