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 174.0
[M+Na]+ 353.05662 183.8
[M-H]- 329.06012 183.2
[M+NH4]+ 348.10122 189.3
[M+K]+ 369.03056 180.3
[M+H-H2O]+ 313.06466 167.5
[M+HCOO]- 375.06560 193.9
[M+CH3COO]- 389.08125 209.0
[M+Na-2H]- 351.04207 178.9
[M]+ 330.06685 179.0
[M]- 330.06795 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.